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  • Articles  (566)
  • Engineering General  (505)
  • Crystal structure  (61)
  • Biochemistry and Biotechnology
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  • LUNAR AND PLANETARY EXPLORATION
  • 1995-1999  (213)
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  • Articles  (566)
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  • 1
    Electronic Resource
    Electronic Resource
    Structural study of the molecular complex in crystals of brucine with pantolactone (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 121-125 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; brucine ; pantolactone ; molecular complex ; chiral resolution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract We have determined an X-ray crystal structure, a = 12.482(1), b = 14.349(1), c = 14.342(1) Å, orthorhombic, P212121 for a molecular complex of brucine with pantolactone. The crystal structure is composed of corrugated sheets of brucine molecules containing the guest pantolactone molecules. The conformational twist of the pyrrolidine ring in brucine may probably be important in projecting the amine N2 to provide a strong and specific binding site for a chiral complexation. The pseudo-equatorial orientation of the hydroxyl group of the pantolactone anchors itself for binding via hydrogen bonding. In the crystal packing, the pantolactone molecules form helices and the brucine molecules are attached to these helices by O=H···N hydrogen bonds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009543903373
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  • 2
    Electronic Resource
    Electronic Resource
    Structure of a deaza dimer of 4-methyl-3H-1,2,4-triazole-3,5(4H)-dione (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 15-18 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; dimer ; triazole
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the monoclinic space group, P21/n; a = 9.0024(5), b = 5.8135(3), c = 15.2232(8) Å, β = 91.153(4)° Z = 4; and R = 0.050 based on 853 observed, unique reflections. The structure consists of two fused five-membered triazole rings, oriented relative to each other at 152°.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009558912034
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal structures of two substituted biphenyl derivatives: 5,5′-di t-butyl-2-2′-biphenyldiol and 5,5′-dimethyl-2,2′-biphenyldiol (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 157-161 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; biphenyl ; mutual orientation ; strong H-bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 5,5′-Di t-butyl-2,2′-biphenyldiol (I), C20H26O2, crystallizes in the orthorhombic space group P212121 with a = 18.243(2), b = 9.947(2), c = 9.685(3) Å, and Z = 4; 5,5′-dimethyl-2,2′-biphenyldiol (II), C14H14O2, crystallizes in the monoclinic space group P21/c with a = 9.959(2), b = 7.932(3), c = 15.392(2) Å, β = 105.43(2)°, and Z = 4. The aromatic rings are tilted by 52.7(1) and 43.8(1)° to each other in compounds (I) and (II), respectively. Strong intra- and inter-molecular H-bonds connect the molecules in the crystals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009509808535
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  • 4
    Electronic Resource
    Electronic Resource
    Synthesis, spectroscopic studies, and crystal structure of tris(tetra-n-butylammonium) hexakisisothiocyanatoindate(III) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 317-321 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; indium complexes ; isothiocyanate complexes ; octahedral coordination
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The reaction of a 1:10 molar ratio between indium chloride and tetra-n-butylammonium thiocyanate in ethanol affords the complex [(n-C4H9)4N]3[In(NCS)6] (1), the structure of which has been established by X-ray diffraction. This compound crystallizes in the cubic space group Pa3¯ with eight formula units in the unit cell. The formula unit consists of three separate cationic tetra-n-butylammonium groups and an independent hexakisisothiocyanatoindium anionic group. The six near linear thiocyanate ligands coordinate octahedrally through the nitrogen atom to the indium metal center. The coordination of the n-butyl groups to the ammonium-nitrogen atom is tetrahedral. The complex has also been characterized by IR, 1H and 13C NMR, physical properties, and X-ray powder analysis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009525918781
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  • 5
    Electronic Resource
    Electronic Resource
    Crystal structures of a series of 3,8-di[-2-aryl-1-azenyl]-1,3,6,8-tetraazabicyclo[4.4.1]undecanes (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 145-156 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; bicycloundecane ; triazene ; bis-triazene ; nitro substituent ; carboalkoxy substituent ; π–π stacking
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a series of 3,8-di[-2-aryl-1-azenyl]-1,3,6,8-tetraazabicyclo[4.4.1]undecanes (1–5) have been determined by single crystal X-ray diffraction analysis. In all five compounds, the tetraazabicycloundecane portion of the molecule assumes a cage-like, folded structure with the aryltriazene moieties aligned approximately parallel; the structure is held in the folded configuration by either intramolecular or intermolecular π–π stacking forces. Crystal data: 1 C19H22N10O4, monoclinic space group P21/c, a = 10.1846(7), b = 9.9556(7), c = 20.819(2) Å, β = 98.725(1)°, V = 2086.5 (3) Å3, Z = 4; 2 C23H28N8O4, triclinic, space group Pī, a = 6.7064(7), b = 12.9662(14), c = 14.054(2) Å, α = 94.796(2), β = 91.621(2), γ = 104.836(2)°, V = 1175.7(2) Å3, Z = 2; 3 C19H22N10O4, monoclinic, space group P21/c, a = 14.237(2), b = 13.520(2), c = 11.5805(12) Å, β = 113.514(2)°, V = 2044.0(4) Å3, Z = 4; 4 C21H22N10, monoclinic, space group C2/c, a = 54.247(3), b = 11.5531(7), c = 12.9670(7) Å, β = 95.710(1)°, V = 8086.4(8) Å3, Z = 16; 5 C25H32N8 04, monoclinic, space group P21/c, a = 10.2908(7), b = 16.5687(12), c = 15.1662(10) Å, β = 94,188(1)°, V = 2579.0(3) Å3, Z = 4.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009557724465
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  • 6
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of 4,5-dibromo[2.1.1]triblattene (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 351-354 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; dibromotriblattene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of 4-bromopentacyclo[7.3.0.02,7.03,11.06,10]dodec-11-ene (1) with Br2—CCl4 afforded 4,4,5-tribromopentacyclo[7.3.0.02,7.03,11.06,10]dodecane (2) in 89–94% yield. Subsequent treatment of 2 with KOt-Bu-t-BuOH resulted in competitive elimination of the elements of HBr and of Br2 with concomitant formation of 4,5-dibromopentacyclo[7.3.0.02,7.03,11.06,10]dodec-11-ene (3, 76%) and 1 (17%), respectively. The structure of 3 was established unequivocally via application of X-ray crystallographic methods. Crystal data for 3: monoclinic, C2/c, a = 9.895(1), b = 9.0963(7), c = 12.471(1) Å, β = 106.875(8)°, z = 4.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009538321507
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  • 7
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of a new lithium cyclohexaphosphate hydrate: Li6P6O18·10H2O (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 323-327 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; cyclohexaphosphate ; hydrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and crystal structure of a novel hydrate of lithium cyclohexaphosphate are reported. Li6P6O18·10H2O crystallizes in the space group C2/c with a = 15.113(5), b = 12.006(2), c = 15.892(2) Å, β = 122.85(2)°, and Z = 4. The structure consists of P6O18 ring layers stacked along the c direction in between which are located the lithiumions and water molecules. Two LiO4 tetrahedra share common edges with LiO5 pseudosquare pyramids to form two independant Li3O9 units. About 50% of the water molecules have fractional occupancy rates and form fragments of molecules. A linear relationship is established between the relative cell volume V/Z and the hydration degree, n, for all the known hydrates: Li6P6O18·nH2O.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009577902852
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  • 8
    Electronic Resource
    Electronic Resource
    Synthesis and structure of a bis(ethynyl)-substituted oxahexacyclic cage ether (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 347-349 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; pentacycloundecane ; triple bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Intramolecular dehydration of a cage-diol results in the title compound. This crystallizes in the monoclinic space group P21/c; a = 8.6403(8), b = 9.5698(7), c = 14.062(1) Å β = 107.47(7)° and Z = 4.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009586204669
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  • 9
    Electronic Resource
    Electronic Resource
    A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 283-286 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; complexes ; cobalt ; benzoylhydrazone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of bis-(6-amino-5-formyl-1,3-dimethyluracilato benzoylhydrazone)cobalt(II) dimethylformamide solvate is described. This compound crystallizes in the triclinic system, space group P1¯, Z = 2 with a = 9.7368(8), b = 12.346(1), c = 17.184(1) Å, α = 78.372(6), β = 74.585(6), γ = 71.113(5)°, and V = 1869.0(3) Å3. The coordination polyhedron around the metal ion displays a slightly flattened M(NNO)2 octahedral shape. Both ligands bind in a trident fashion through the benzoylic oxygen atom, the hydrazone nitrogen atom closer to the uracil ring, and the deprotonated nitrogen atom of the amino group. The two ligands exhibit quite different conformations: one of them is almost planar, whereas the other is severely twisted.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009565600126
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  • 10
    Electronic Resource
    Electronic Resource
    An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 (1999)
    Springer
    Physics and chemistry of minerals 26 (1999), S. 546-553 
    Details
    ISSN: 1432-2021
    Keywords: Key words Malayaite ; Infrared spectroscopy ; Crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract Powder infrared spectroscopy and X-ray diffraction techniques on single crystals were used to study the thermal behaviour of malayaite, CaSnSiO5. Infrared spectra show a discontinuity in the temperature evolution of phonon frequencies and absorbance near 500 K. However, crystal structure data collected at 300, 450, 550, 670, and 750 K show no evidence of a symmetry-breaking phase transition and no split positions. The most obvious change with heating is a tumbling motion of the SnO6 octahedra and an increase of the anisotropic displacement factors of Ca. The thermal evolution of the mean-square vibrational amplitude of the Ca atom shows a pronounced change in slope near 500 K. The evidence suggests that the 500 K anomaly in malayaite is more similar in character to the 825 K (β-γ) transition as opposed to the 496 K (α-β) transition in synthetic titanite.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002690050218
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  • 11
    Electronic Resource
    Electronic Resource
    Crystal structure of 5-(p-methoxyphenylamino)indane and AM1 calculations on N-arylamines derivatives, precursors of phenothiazine drugs (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 735-739 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; diphenyl amines ; AM1 calculations ; phenothiazines
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structural determination by X-ray crystallography of the titled N-arylamine 4a, as well as AM1 calculations on a series of derivatives (4b–c, 5a–c), are reported. The compound 4a is monoclinic P21/c with a = 7.656(3), b = 23.655(5), c = 7.686(9) Å, β = 112.59(6)°, V = 1285.2(2) Å3 and Z = 4. This structure has been used as a template for the building of some others derivatives used for AM1 calculations. The results show that the cyclization position on the aromatic rings, which can lead to two regioisomers, depends on the nature of the benzylic substituants.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1021860410863
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  • 12
    Electronic Resource
    Electronic Resource
    Synthesis, characterization, and X-ray crystal structure of di-(2,4-imidazolidinedione-5-ethyl)disulfide, C10H14N4O4S2 (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 761-765 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; noncentrosymmetric ; disulfide ; imidazolidinedione ; homocystine hydantoin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Di-(2,4-imidazolidinedione-5-ethyl)disulfide or homocystine hydantoin, C10H14N4O4S2 (I), crystallizes in the non-centrosymmetric space group P21 (No. 4) with two molecules in the unit cell with a = 7.132(1), b = 9.282(2), c = 10.770(2) Å and β = 105.68(1)°. The two imidazolidinedione rings are planar with a dihedral angle of 46.9°. The rings are joined by a diethyl disulfide bridge at chiral centers on the rings. The C-S-S-C torsion angle is −80°(−sc). The absolute stereochemistry of the chiral centers was determined to be (5S, 5′S), η = + 0.92 (11). Important bond distances include: S-S = 2.022(4); S-C (mean) = 1.809(8); and C=O (mean) = 1.224(7) Å. The compound is stabilized by a network of intermolecular carbonyl-to-amine hydrogen bonding and van der Waals cohesive forces.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1021816628610
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  • 13
    Electronic Resource
    Electronic Resource
    Crystal structure of a macrocyclic tetraamine isocyanato zinc(II) complex (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 831-834 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; macrocyclic tetraamine ; isocyanato zinc(II) complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex, [Zn(L)(NCO)]Cl · 3H2O (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,01.18,07.12]docosane), has been synthesized and structurally characterized. 1 crystallizes in the monoclinic system, space group P21/n with a = 10.530(3), b = 9.315(2), c = 27.188(3) Å, β = 92.58(1)°, V = 2664.1(9)Å3, and Z = 4. The zinc atom is in a distorted squarepyramidal environment with the four nitrogen atoms of the macrocycle and one nitrogen atom of the isocyanate ligand.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1021831921283
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  • 14
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    Synthesis and crystal structure of macrocyclic nickel(II) complex bridged by chromate (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 867-870 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; macrocyclic nickel(II) complex ; chromate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A novel compound catena-(μ-CrO4-O,O′)[Ni(L1)Ni(L2)] 3H2O (1) (L1 = 3,5,10,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane and L2 = 2,5,9,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized for the first time and structurally characterized. 1 crystallizes in the triclinic space group Pī with a = 9.623(1), b = 10.084(1), c = 12.723 (3) Å, α = 66.74(2), β = 75.20(1), γ = 72.02(1)°, V = 1066.2(3) Å3, and Z = 2. The coordination environment around the Ni(II) ions is an axially elongated octahedron with the secondary amines of the isomeric ligands and two oxygen atoms of [CrO4]2−.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022890217250
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  • 15
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    Synthesis, characterization, peripheral studies, and structural analysis of E-4-(N-methylanilino)-3-pentene-2-one, C12H15NO (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 899-903 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; ir/nmr ; β-amino-α ; β-unsaturaled ketone ; noncentrosemmtric ; enamino ketones
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystallographic structural refinement of E-4-(N-methylanilino)-3-pentene-2-one (I) has been carried out by means of three-dimensional single-crystal X-ray diffractometry. The title compound crystallizes in space group C2 (No. 5,Z = 4). The lattice constants are a = 21.543(4), b = 6.433(1), c = 8.019(2) Å, and β = 97.82(3)°. Characterizations include physical property determinations and spectrometric identifications employing IR, 1H and 13C NMR, and X-ray powder analyses. The molecules in the crystal lattice are held together by van der Waals forces. Selected bond distances and angles are presented and discussed as well as synthesis and peripheral studies.
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    URL: http://dx.doi.org/10.1023/A:1022802619976
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  • 16
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    The structure of N-(1H-benzo[d]imidazol-2-ylmethyl)-N-(2,6-dichlorophenyl)amine (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 145-147 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; benzimidazole ; antimicrobial activity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The N-(1H-benzo[d]imidazol-2-ylmethyl)-N-(2,6-dichlorophenyl)amine, C14H11N3Cl2, M r = 292.17, crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.707(2), b = 9.615(2), c = 25.944(6) Å. The benzimidazole ring system is planar and makes a dihedral angle of 77.8(1)° with the phenyl ring. The structure is stabilized by an N–H···N hydrogen bond.
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    URL: http://dx.doi.org/10.1023/A:1022497931783
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  • 17
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    Synthesis and structural characterization of a novel polymeric praseodymium(III) complex with a new flexible double betaine (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 177-183 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; coordination polymer ; praseodymium(III) carboxylate complex ; double betaine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A novel polymeric Pr(III) complex with a new double betaine, namely [{Pr(L1)1.5(H2O)2} n ][ClOli4]3 n ·nH2O (1) (L1 = 1,4-diazoniobicyclo[2,2,2]octane-1,4-dipropionate), has been synthesized and characterized by X-ray analysis. In the title complex, the Pr(III) atom is nine-coordinated by seven oxygen atoms from five L1 ligands and two aqua ligands. Each pair of adjacent praseodymium(III) atoms is linked by a pair of μ3 chelating and bridging carboxylate groups, thus forming an infinite metal···metal chain running parallel to the a direction, and such chains are cross-linked by flexible backbones of L1 ligands into a three-dimensional network with the perchlorate anions and lattice water molecules accommodated in the interstitial space. The title complex crystallizes in the monoclinic space group P21/n with a = 8.085(2), b = 14.316(3), c = 29.775(6) Å, β = 103.04(3)° and Z = 4.
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    URL: http://dx.doi.org/10.1023/A:1022414109261
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  • 18
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    Crystal structures of three substituted pentacyclo[5.4.0.02,6.03,10.05,9]undecanes (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 251-258 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; pentacycloundecane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of three compounds formed via ultimate nucleophilic attack of unsaturated hydrocarbon fragments are reported. Geometries of the bis(vinyl)-, mono(vinyl), and bis(ethynyl)-substituted PCU species are unexceptional. The crystal structures are dictated by the availability of intermolecular hydrogen bonding.
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    URL: http://dx.doi.org/10.1023/A:1021893001351
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  • 19
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    Molecular structure and absolute configuration of (+)-(1R, 2S, 6R, 7S, 1′R)-5-(1′-phenylethylamino)-endo-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 497-499 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; tricyclodecadienone ; enaminone ; resolution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of (+)-(1R, 2S, 6R, 7S, 1′R)-5-(1′-phenylethylamino)-endo-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is described. Based on the known absolute configuration (R) of the α-phenylethylamine moiety the X-ray analysis revealed the absolute configuration of the title compound. The structure was refined to R 1 = 0.0298 for 1950 reflections (with I 〉 2σ(I)). Crystal data: C18H19NO, monoclinic, space group P21, a = 6.7406(4), b = 9.959(2), c = 11.3123(8)Å, β = 102.969(5), V = 740.0(2)Å3, and Z = 2.
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    URL: http://dx.doi.org/10.1023/A:1021733108852
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  • 20
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    Molecular structure and absolute configuration of (−)-(1R, 2S, 6R, 7S, 2′S)-5-(2′-hydroxymethylpyrrolidin-1′-yl)-endo-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 493-495 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; tricyclodecadienone ; enaminone ; dynamic kinetic resolution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of (−)-(1R, 2S, 6R, 7S, 2′S)-5-(2′-hydroxymethyl-pyrrolidin-1′-yl)-endo-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is described. Knowing the absolute configuration of the prolinol moiety (S) the X-ray diffraction study established the absolute configuration of the title compound. The structure was refined to R 1 = 0.0322 for 1237 reflections (with I 〉 2σ(I)). Crystal data: C15H19NO2, monoclinic, space group P21, a = 6.0757(4), b = 11.3473(5), c = 9.5114(7)Å, β = 104.686(6)°, V = 634.32(7)Å3, and Z = 2.
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    The crystal structure of 5α,9α-peroxyergosta-7,22-dien-6-one-3β-ol acetate (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 239-241 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; ergosterol peroxide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Ergosterol acetate, in pyridine, reacts with hydrogen peroxide and catalytic amounts of FeCl3 to afford the unusual product 5α,9α-peroxyergosta-7,22-dien-6-one-3β-ol acetate. The peroxide, in the title structure, is seen to bridge the C5 and C9 positions of the sterol backbone. Crystal data: C30H44O5, orthorhombic, P212121, a = 6.552(2), b = 11.048(8), c = 37.60(2), V = 2772(3)Å3, Z = 4.
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    The crystal structure of hexabenzoylhexaazaisowurtzitane (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 593-596 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; cage compound ; hexabenzoylhexaazaisowurtzitane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of an interesting cage compound is described. Crystal data: C48H36N6O6·(CH3)2CO; monoclinic; space group: P2 1 /n; a = 14.948(3) Å, b = 15.079(3) Å, c = 19.539(4)Å, β = 93.93(3)°, V = 4394(2)Å3; and Z = 4.
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    Crystal structure of strontium potassium arsenate octahydrate (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 741-746 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; hydrated ions ; ionic hydration ; strontium arsenate ; struvites ; struvite-type structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of strontium potassium arsenate octahydrate, SrKAsO4·8H2O, has been determined by single crystal X-ray diffraction. The crystals are tetragonal, a = 7.144(1), c = 23.613(2) Å, space group I41md (No. 109), Z = 4, V = 1205.1(1) Å3, and d c = 2.258 g cm−3. All cations and anions in this compound are completely surrounded by water molecules. Sr2+ and K+ ions are each coordinated to eight water molecules arranged in an approximately square antiprism. The [Sr(H2O)8]2+ polyhedron shares one face of four water molecules with a [K(H2O)8]+ polyhedron forming O4-Sr-O4-K-O4 polyhedra. The O4-Sr-O4-K-O4 units are linked together through a pair of edge-sharing linkages of the outer water molecules, alternating along the a-axis and b-axis. The hydrated cation polyhedra appear to define the host lattice, which accommodates the AsO 4 3- ion in the interstitial space. The environment of the AsO 4 3- ion consists of 16 water molecules; each oxygen atom is the acceptor in hydrogen bonds from four water molecules. The pair distances associated with this environment may be used in investigations of the structure of hydrated 4 n- ions in solutions. Each water molecule is coordinated to one Sr and one K, and hydrogen bonded to two O atoms of two different AsO 4 3- ions. There is no hydrogen bonding between water molecules.
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    Crystal structures of a series of 3,7-bis-(arylazo)-1,3,5,7-tetraazabicyclo[3.3.1]nonanes (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 797-809 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; bicyclononane ; triazene ; bis-triazene ; nitrile substituent ; nitro substituent ; trifluoromethyl substituent ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a series of 3,7-bis(arylazo)-1,3,5,7-tetraazabicyclo[3.3.1] nonanes (1a–d) have been determined by single crystal X-ray diffraction analysis. All four compounds have the same feature, that the tetraazabicyclononane unit assumes a cage-like structure with the aryltriazene moieties lying parallel to one another so that the aryl rings are held together by π – π stacking. Crystal data: 1a C17H18N10O4, triclinic, space group P − 1, a = 9.8899(10), b = 13.0845(13), c = 16.458(2) Å, α = 94.095(2)°, β = 107.004(2)°, γ = 111.027(2)°, V = 1863.5(3) Å3 and Z = 4; 1b, C19H18F6N8, orthorhombic, space group Pbca, a = 15.3210(8), b = 10.9512(6), c = 24.5698(13) Å, V = 4122.4(4) Å3 and Z = 8; 1c C19H18N10, monoclinic, space group P21/n a = 6.3742(6), b = 13.7343(13), c = 21.542(2)Å, β = 97.738(2)°, V = 1868.8(3) Å3, and Z = 4; 1d, C19H18N10, monoclinic, space group P21/c, a = 18.205(2), b = 17.398(2), c = 12.784(12) Å, β = 109.480(2)°, V = 3818.0(6) Å3, and Z = 8.
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    Characterization and structural analyses of trimethoxy and triethoxybenzo[b]thiophene (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 289-295 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; centrosymmetric ; methoxybenzo [b] thiophene ; estrogen receptor ; tubulin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structures of two methoxybenzo [b] thiophenes have been determined by three-dimensional, single-crystal X-ray diffractometry. Both 3-(3′,4′,5′-trimethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene and 3-(3′,4′,5′-triethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene (hereafter referred to as I and II, respectively) crystallize in the triclinic centrosymmetric space group $$P \bar 1$$ (No. 2, C1) with two formula units per cell with a = 6.842(1) Å, b = 12.602(2) Å, c = 13.815(2) Å, α = 94.80(1)°, β = 98.27(2)°, and γ = 100.59(2)° and a = 10.600(1), b = 11.415(2), c = 12.137(2) Å, α = 94.57(1)°, β = 101.18(1)°, and γ = 110.45(1)°, respectively. The phase problems were solved by direct methods and the respective final full-matrix least-squares refinements converged to R = 0.039 and 0.068. The structures differ in the orientation of the trimethoxy and triethoxy groups of the benzoyl ligands. The molecules in the crystal lattice are held together by van der Waals forces. Selected bond distances, angles, and torsion angles are tabularized as well as reference to the synthesis of the title compounds and peripheral studies.
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    Synthesis and crystal structure of a polymeric erbium(III)–sodium(I) coordination complex of picolinic acid N-oxide (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 413-418 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; coordination polymer ; erbium(III)–sodium(I) carboxylate complex ; picolinic acid N-oxide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new Er(III)–Na(I) coordination polymer of stoichiometry [NaEr2L5(H2O)6(NO3)](NO3)·3.5H2O (HL = picolinic acid N-oxide) has been synthesized and characterized by single-crystal X-ray analysis. Crystals are triclinic, PĪ with a = 9.823(2), b = 12.453(2), c = 20.643(4) Å; α = 98.49(3), (β = 101.40(3), γ = 108.69(3)°; V = 2284(1) Å3; Z = 2. Of the two independent eight-coordinate erbium(III) ions in this complex, one is surrounded by four bidentate chelating L ligands, and the other by one bidentate chelating L ligand, four aqua ligands and two anti-carboxylate oxygen atoms from two neighboring [ErL4] units. The sodium(I) ion is in a distorted octahedral environment, being coordinated by a unidentate nitrate anion, three aqua ligands and two anti-carboxylate oxygen atoms from two adjacent [ErL4] units. The complex is built from zigzag chains of syn-anti carboxylate-bridged erbium(III) moieties directed in the a direction, which are cross-linked pairwise by aqua-bridgeddimericsodium(I) units. The resulting composite polymeric chains are further connected by hydrogen bonds to form a three-dimensional network.
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    Crystal structure and two-stage hydrolysis of dimethoxo (meso-tetra(4-methoxyphenylporphyrinato))tin(IV), Sn(tmpp)(OMe)2 (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 481-486 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; tin porphyrin ; two-stage hydrolysis ; methanolate ; trans equivalent axial ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract In this work, we determine the crystal structure of dimethoxo(meso-tetra(4-methoxyphenylporphyrinato))tin(IV), Sn(tmpp)(OMe)2 (1). Experimental results indicate that the tin atom has an octahedral geometry. The geometry around the tin center has Sn(1)–O(5) = 2.020(6), Sn(1)–O(6) = 2.003(7) Å and an average Sn(1)–N = 2.10(1) Å. The two methoxo groups are unidentately coordinated to the tin(IV) atom. Two-stage hydrolysis of Sn(tmpp)(OMe)2 in CDCl3 was observed by 1H and 13C NMR spectroscopy. Compound (1) crystallizes in the space group P21/n with a = 14.7492(1), b = 19.2022(3), c = 16.0806(2) Å, β = 94.104(1)°, and Z = 4.
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    Synthesis and structural characterization of a novel polymeric gadolinium(III)–copper(II) complex of iminodiacetic acid (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 475-479 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; coordination polymer ; gadolinium(III)-copper(II) complex ; iminodiacetic acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A novel polymeric Gd2Cu3 complex of iminodiacetic acid (H2L1=NH{CH2COOH}2), namely, Gd2Cu3(L1)6, 1, has been synthesized and structurally characterized. In the title complex, the Gd3+ ion is nine-coordinated by six O atoms from three bidentate chelating carboxylate groups and three O atoms from three anti-anti bridging carboxylic groups of six L1 ligands; the Cu2+ ion is six-coordinated by four O and two N atoms from two chelating L1 ligands. Each pair of Gd(III) atoms is bridged by three L1 ligands, each of which also chelates with one copper(II) ion, thus forming a Gd2Cu3 cluster unit. Such cluster units are cross-linked by flexible L1 ligands into a three-dimensional coordination framework. The title complex crystallizes in the trigonal space group P-3c1 (No. 165) with a = b = 13.433(4), c = 14.770(6) Å; V = 2308(1) Å3; Dcalca = 1.859 g cm−3; Z = 2.
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    Crystal structures of two 1,2-bis-(1-aryl-3-methyltriazene-3-yl-)ethanes with aryl substituents of opposite polarity (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 5-10 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; triazene ; bis-triazene ; nitrile substituent ; methoxy substituent ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 1,2-bis-{1-(2-cyanophenyl)-3-methyltriazen-3-yl-}ethane (1) and 1,2-bis-{1-(2-methoxyphenyl)-3-methyltriazen-3-yl-}ethane (2) have been determined by single crystal X-ray diffraction analysis. Bis-triazene (1) exists as the “staggered” conformation in the solid state, with an anti-anti configuration around the N2–N3 bond of the triazene units, whereas 2 assumes a “gauche” conformation with the syn-syn configuration in the triazene units. Crystal data: 1 C18H18N8, triclinic, space group P −1, a = 6.108(2), b = 8.118(3), c = 9.600(4)Å, α = 101.37(7)°, β = 96.47(7)°, γ = 102.71(5)°, V = 449.1(3)Å3, Z = 2; 2 C18H24N6O2, monoclinic, space group P 21/n, a = 13.119(5), b = 7.745(2), c = 19.201(2)Å, β = 96.47(7)°, V = 1910.3(9)Å3, Z = 4.
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    Crystal structures of the hydrated disodium and paraquat salts of 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 39-46 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid ; 3,4,5,6-tetracarboxyacridine-1,8-disulfonate ; paraquat ; hydrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Two hydrated salts of 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid, H2L, have been characterized by single-crystal X-ray analysis. Compound 1, Na2L·9 $$ - \frac{1}{2}$$ H2O, crystallizes in the monoclinic space group C2/c with a = 42.005(1), b = 6.838(1), c = 23.807 (1) Å, β = 122.71 (1)°, and Z = 8. Compound 2, (paraquat)L·2H2O, belongs to the triclinic space group $${P\bar 1}$$ with a = 9.940(1), b = 11.543(1), c = 14.033(1) Å, α = 105.45(1), β = 95.82(1), γ = 100.14(1)° and and Z = 2. All four carboxyl groups in the 3,4,5,6-tetracarboxyacridine-1,8-disulfonate dianion L2− are un-ionized. In 1 the distorted octahedrally coordinated sodium cations, the anions, and the lattice water molecules are joined together by hydrogen bonds to generate a three-dimensional network. In the crystal structure of 2, a host framework composed of L2− ions and water molecules accommodate the paraquat dications within two channel systems running parallel to the a and b axes.
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    Crystal structures of four dibromomethylene-functionalized cage compounds (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 259-266 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; heptacyclotetradecane ; hexacyclotetradecane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystal structures of four dibromomethylene-functionalized hexa- and heptacyclotetradecane cages are reported. 7-(Dibromomethylene)heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane (3): orthorhombic, Pnma, a = 14.744(1), b = 11.237(1), c = 7.4625(7) Å Z = 4; R = 0.0531 for 504 observed reflections. 7,12-Bis(dibromomethylene)heptacyclo[6.6.0.02,6.03,13-04,11 .05,9.010,14]tetradecane (4): monoclinic, I2/a, a = 11.257(1), b = 9.5844(8), c = 13.884(2) Å, β = 92.254(8)° Z = 4; R = 0.0413 for 663 observed reflections. 10,14-bis(dibromomethylene)hexacyclo[6.6.0.02,6.03,13.04,11.05,9]tetradecane (6): monoclinic, P21/n, a = 8.118(1), b = 15.273(4), c = 12.826(3) Å, β = 104.20(1)° Z = 4; R = 0.0384 for 1392 observed reflections. 14-(dibromomethylene)hexacyclo[6.6.0.02,6.03,13.04,11.05,9]tetradecan-10-one (7): monoclinic, P21/n, a = 8.2879(7), b = 15.273(1), c = 10.0565(9) Å, β = 92.271(8)° Z = 4; R = 0.0320 for 1402 observed reflections. The functional groups lead to slight shortening of bond lengths.
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    A dinuclear cyano-bridged complex based on hexacyanoferrate(III) and samarium(III) nitrate: synthesis and crystal structure (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 303-307 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; samarium(III) complexes ; iron(III) complexes ; cyanide-bridges ; dinuclear complexes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new complex, [Sm(DMF)4(H2O)4Fe(CN)6]·H2O (DMF = N, N-dimethylformamide), has been synthesized and characterized by X-ray single crystal structure and thermogravimetric analyses. The complex crystallizes in the P21/n space group, with lattice parameters a = 17.583(4) Å, b = 8.870(2) Å, c = 19.845(6) Å, β = 95.98(3)°, V = 3078(1) Å3, D x = 1.679 Mg m−3, D m = 1.65(1) Mg m−3, Z = 4. The molecular structure shows that a cyano-bridged bimetallic structure is obtained. The Sm atom is coordinated by eight oxygen atoms of four water molecules and four DMF molecules and one nitrogen atom of the bridging cyanide ligand. The iron atom assumes approximately an octahedral environment surrounded by six CN ligands. The hydrate water molecule is hydrogen-bonded to one of the O atoms bound to Sm. Each terminal CN ligand of the Fe(CN) 6 3− entity is hydrogen-bonded to some O atoms of water molecules. An infrared spectrum is also reported.
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    Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction studies on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 565-570 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; complexes ; pteridine ; lumazine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract In aqueous hydrobromic medium, Na[AuCl4] reacts with 1,3-dimethyllumazine (1,3-dimethyl-pteridine-2,4(1H,3H)-dione, DLM) or 1,3,6,7-tetramethyllumazine (DLMD) to give three adducts with simplified formulas Na[AuBr4](DLMD), Na[AuBr4](DLM), and Na[AuBr4](DLM)2. These compounds have been characterized by means of analytical techniques, and IR and NMR spectroscopies. Single-crystal x-ray diffraction studies have been made on the Na[AuBr4](DLM)2 compound. The crystals belong to the orthorhombic Pbca space group, with a = 15.249(1), b = 15.238(2), c = 21.563(2) Å, Z = 8, and R = 0.053. The structure consists of planar [AuBr4]− anions and Na+ cations weakly linked to two crystallographically independent DLM molecules. The Na+ cation interacts weakly with four oxygen and one nitrogen atoms from four different pteridine molecules, its environment may be described as a very distorted square pyramid.
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    Molecular structure of AlH3[N(CH2CH2)3CH]2 (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 649-651 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; aluminum ; hydride ; complex ; quinuclidine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of AlH3[N(CH2CH2)3CH] with hexamethyltrisiloxane, (OSiMe2)3, gives rise to the bis-quinuclidine complex AlH3[N(CH2CH2)3CH]2, which has been characterized by 1H and 13C NMR spectroscopy and X-ray crystallography. The molecular structure of AlH3[N(CH2CH2)3CH]2 consists of a trigonal bipyramidal aluminum with axial coordination of the quinuclidine ligands. Crystal data: orthorhombic, space group Pbcn, a = 10.6895(9), b = 12.266(1), c = 12.3794(9) Å, V = 1623.2(2) Å3, and Z = 4.
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    Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6, and behavior of Cu2+ in the orthopyroxene structure (1997)
    Springer
    Physics and chemistry of minerals 24 (1997), S. 463-476 
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    ISSN: 1432-2021
    Keywords: Key words Cu2+-beearing orthopyroxene ; Orthopyroxene ; Crystal structure ; Jahn-Teller effect
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract  Cu-bearing pyroxene, Mg(Cu.56,Mg.44)Si2O6, has been synthesized by a flux method and crystal structure refinement has been performed by single crystal X-ray diffraction. It is found that the crystal structure is orthorhombic (space group Pbca) with unit cell dimensions of a=18.221(4), b=8.890(1), c=5.2260(7)Å and the cell volume of 846.5( )3Å3. In the M2-site one of the M-O bonds(M-O3B) is extremely expanded from 2.444(2) in enstatite to 2.732(2), thus the coordination polyhedron around M2-site is regarded as square pyramidal rather than square planar or octahedral. It is also found that the M1-site in the pyroxene structure is occupied almost exclusively by Mg, while the M2-site is almost evenly occupied by Mg and Cu. The observed extreme site preference shown by Cu2+ is unusual among the divalent cations with similar ionic sizes.
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    Molecular structure of 3-(3-oxo-bicyclo[2.2.1]hept-5-en-2-yl)-oxirane-2-carboxylic acid methyl ester (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 81-84 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; epoxy ester
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of an epoxy ester is described. The structure has been solved by vector search methods and refined by least squares methods toR 1=0.0372 [I〉2σ(I)]. The structure consists of two independent molecules in the asymmetric unit. These molecules are chemically the same. Crystal data: C11H12O4, triclinic, space group $$P\bar 1$$ ,a=10.324(3),b=10.553(7),c=10.869(5)Å, α=61.77(4), β=88.64(4), γ=88.16(6)°,V=1042.7(9)Å3,Z=4.
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    Crystal structure of a highly hydrated tristrontium phosphate, Sr9(PO4)6·16H2O (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 341-346 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; hydrated phosphate ; layer-type structure ; strontium phosphate ; strontium phosphate hydrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of a highly hydrated tristrontium phosphate, nonastrontium hexakis(phosphate) hexadecahydrate, Sr9(PO4)6·16H2O, has been determined by single crystal X-ray diffraction. The crystals are monoclinic,a=15.203(2),b=6.488(1),c=18.984(7) Å, β=98.42(2)o, space groupP2/c (No. 13),Z=2,V=1852.3 Å3,d c =2.951 Mg·m−3. The structure was refined by full-matrix least-squares techniques toR=0.038,R w =0.051, for 2329 reflections with I≥3σ(I). The structure can be described in terms of a layer-type arrangement parallel to (100). One layer consists of a compact assembly of columns of Sr and PO4 ions in a pseudohexagonal arrangement resembling an apatitic structure. A second layer containing all the water molecules and one PO4 ion that occupies the interstitial space may be referred to as the hydrated layer. The structure has an overall similarity to that of octacalcium phosphate and can be considered as a model for amorphous calcium phosphate.
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    Molecular structure of [(tBu)2Al(μ-NHtBu)]2 (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 563-567 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; aluminum ; amide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of [(tBu)2Al(μ-NHtBu)]2 has been determined. The unit cell contains two independent molecules with only slight variation in the orientation of thetert-butyl ligands. Crystal data: Triclinic, $$P\bar 1$$ ,a=9.0138(6),b=10.2944(8),c=15.791(1) Å, α=91.262(6), β=89.822(6), γ=106.141(6)°,V=1407.2(2) Å3,Z=2,R=0.039,R w=0.041.
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    Crystal and molecular structure determination, TGA-DTA, and infrared and Raman spectra of rubidium nitroprusside, Rb2[Fe(CN)5NO] (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 325-330 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; rubidium nitroprusside ; IR ; Raman ; thermal analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound, Rb2[Fe(CN)5NO], crystallizes in the space group P212121, witha=5.687(1),b=15.956(2),c=12.645(3) Å, andZ=4. Anions are in equivalent C1 sites (one per asymmetric unit) and are slightly distorted octahedra (C4v ideal symmetry). TGA and DTA curves and vibrational (infrared and Raman) spectra of Rb2[Fe(CN)5NO] were obtained. Results are interpreted in view of the crystal structure of the compound and the behavior of related substances.
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    Thermodynamic vs. kinetic control in the Diels-Alder cycloaddition of cyclopentadiene to 2,3-dicyano-p-benzoquinone (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 281-286 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; cyclopentadiene ; 2,3-dicyano-p-benzoquinone ; Diels-Alder reaction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Diels-Alder cycloaddition of cyclopentadiene (1a) to 2,3-dicyano-p-benzoquinone (2a), when performed in methanol solvent at ambient temperature, proceeds with kinetic control to afford 1α,4α,4aβ,8aβ-tetrahydro-5,8-dioxo-1,4-methanonaphthalene-4a,8a-dicarbonitrile (7, 77% yield). However, when this cycloaddition is performed by refluxing an equimolar solution of1a and2a in benzene for 3 h, the product of thermodynamic control, i.e., 1α,4α,4aα,8aα-tetrahydro-5,8-dioxo-1,4-methanonaphthalene-6,7-dicarbonitrile (3a) is obtained in 64% yield. The structure of3a was confirmed by an analysis of the reduced intramolecular photocyclization product,9.
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    Crystal and molecular structure of (2E,4S,10R)-4-hydroxy-2-undecen-10-olide (nor-patulolide C), C11H18O3 (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 305-308 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; undecen-olid ; nor-patulolide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The stereogeometry and absolute configuration of the title compound has been proved by an X-ray diffraction analysis. Crystal data: monoclinic, P21,a=7.7976(2),b=7.8288(2),c=8.9791(4) Å, β=90.331(4)o, Z=2. The crystal structure has been solved by vector search methods and refined toR=0.042 for 1798 observed reflections.
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    Crystal and molecular structure of diphenylphosphinylacetic acid (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 361-364 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; carboxylic acid ; phosphine oxide ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Diphenylphosphinylacetic acid crystallizes in the monoclinic space groupP2l/n with unit cell dimensionsa=5.6875(7),b=17.049(4),c=13.471(2) Å, β=93.36(1)° and Z=4. The molecular packing consists of hydrogen bonded chains arising from intermolecular interactions between a carboxylic acid hydroxyl group and an oxygen of an adjacent phosphine oxide moiety.
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    Tetracyclo[6.3.0.04,11.05,9]undecane-2,7-dione (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 425-428 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; tetracyclo[6.3.0.04,11.05,9]undecane-2,7-dione
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound crystallizes in the triclinic space group, $$P\bar 1$$ , witha=6.7702(4),b=7.0180(4),c=9.1960(7) Å, α=92.457(6), β=96.150(6), γ=93.444(5)°, andZ=2. The structure contains a rather short intramolecular H...H contact of 2.26(4) Å.
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    Crystal structure oftrans-tetrachlorobis[2-(2-1H-imidazolyl)-1H-imidazolium]cadmium(II), [Cd(H3biim)2Cl4] (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 695-699 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; 2,2'-bi-1H-imidazole ; cadmium chloride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The reaction between cadmium(II) chloride and 2,2'-bi-1H-imidazole (H2biim) in an acidic solution affords [Cd(H3biim)2Cl4] (H3biim=2-(2-1H-imidazolyl)-1H-imidazolium) in 63% yield. The compound crystallizes in the triclinic space groupP1, wherea=8.072(2),b=8.100(2),c=8.593(2) Å, α=75.89(2), β=62.94(2), γ=63.29(1)°,V=446.4(2) Å3, andZ=1. The central Cd atom exhibits an octahedral geometry composed of a Cl4N2 core. The Cd-N bond distance is 2.392(2) Å. Cd−Cl distances are 2.5919(9) and 2.671(1) Å.
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    X-ray structures of two methoxybenzo[b]thiophenes (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 801-806 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; centrosymmetric ; methoxybenzo[b]thiophene ; estrogen receptor ; tubulin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structures of two methoxybenzo[b]thiophenes have been determined by three-dimensional, single-crystal X-ray diffractometry. Both 3-(4′-hydroxy-3′, 5′-dimethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene and 3-(2′,6′-dimethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene (hereafter referred to asI andII, respectively) crystallize in the monoclinic centrosymmetric space groupP21/n (No. 14, C 2h 5 ) with four formula units-per cell witha=6.866(1),b=28.638(2),c=11.830(2) Å, and β=105.52(1)° anda=9.328(1),b=7.977(1),c=29.650(4) Å, and β=97.87(1)°, respectively. The phase problems were solved by direct methods and the respective final full-matrix least-squares refinements converged toR=0.046 and 0.031. The structures differ in the positioning of the dimethoxy groups of the benzoyl ligands and the addition of a hydroxyl group inI. The molecules in the crystal lattice are held together by van der Waals forces plus the addition of hydrogen bonding in compoundI. Selected bond distances and angles and torsion angles are tabularized.
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    Reaction of vinylmagnesium bromide with hexacyclo[10.2.1.02,11.04,9.04,14.09,13]pentadeca-5,7-diene-3,10-dione: Transannular hemiketal formation (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 429-433 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; hexacyclopentadeca-5,7-diene-3,10-dione
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction between vinylmagnesium bromide and the cage dione leads to attack of only one equivalent of Grignard and intramolecular nucleophilic attack on the second ketone. The product compound crystallizes in the monoclinic space group, P21/a, witha=9.509(1),b=11.071(2),c=12.492(4) Å, β=104.32(2)°, andZ=4.
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    The crystal and molecular structure of 6,8,15,16b,16c,17-hexahydro-16b,16c-diphenyl-7H,16H-6a,7a,15a,16a-tetraazanaphtho[5,6]azulano[2,1,8-ij]naptho[f]azulene-7,16-dione (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 365-368 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; receptor ; clip shaped molecule
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a clip containing molecule is described. The structure was solved by vector search methods and refined by least squares methods toR l=0.0768 [I〉2σ(I)]. Crystal data: C40H30N4O2·HCCl3, triclinic, space group $$P\bar 1$$ ,a=9.302(2),b=12.981(2),c=15.765(2)Å, α=65.91(2)°, β=76.40(2)°, γ=80.15(1)°,V=1682.9(4)Å3, Z=2.
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    Synthesis and X-ray analysis of 1-((1S)-phenylethyl)-azetidine-(2R)-piperidinamide (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 639-642 
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    ISSN: 1572-8854
    Keywords: Crystal structure ; chiral auxiliaries
    Source: Springer Online Journal Archives 1860-2000
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    Notes: Abstract The crystal and molecular structure of a new azetidine-2-carboxylic amide derivative is described. The structure was solved by direct methods and refined by least squares methods toR1=0.0393 for 4264 reflections (withI〉2σ(I)) The structure consists of two independent molecules which are chemically the same with slight differences in geometry. Crystal data: C17H24N2O, monoclinic, space groupP21,a=8.3782(4),b=20.0342(13),c=9.7769(8) Å, β=109.687(6)°,V=1545.1(2)Å3,Z=4.
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 73-75 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
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    URL: http://dx.doi.org/10.1002/nag.1610200102
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    Conference diary (1996)
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    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 153-154 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
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    URL: http://dx.doi.org/10.1002/nag.1610200203
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    RESPONSE OF A LAYERED ELASTIC MEDIUM TO A MOVING STRIP LOAD (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 191-208 
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    ISSN: 0363-9061
    Keywords: foundation design ; pavement design ; layer-stiffness technique ; moving strip load ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Analytical determination of stresses and deformations caused by moving loads is vital to foundation and pavement designs. In current applications, moving loads are often approximated to be vertical impact loads. In this work, however, a live load is modelled as a uniform distribution of normal or shear stresses in actual motion. Then, a layer stiffness approach utilizing linear elasticity is followed in determining the surface and interior deformations due to the live load. By superimposing the two solutions for normal and shear surface stresses, the new approach can be made to provide an approximate solution to the problem of evaluating stresses and deformations caused by a wide wheel load rolling on a layered elastic system. Although elastic solutions in general are inadequate to explain the more significant consequences of pore pressure generation and dissipation in the soil subgrade, these results can certainly be useful to examine the shearing effects of wide rolling wheels on the asphalt layer and immediate settlement of the subgrade. It is found that the dynamic effects of a smoothly rolling wide load are significant at relatively low wheel velocities compared to those of shear waves in the subgrade and base.
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    A NEW MODEL FOR THE ANALYSIS OF SETTLEMENT OF DRILLED PIERS (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 143-152 
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    ISSN: 0363-9061
    Keywords: settlement ; axially loaded ; circular ; piles ; piers ; drilled shafts ; caissons ; numerical model ; variational principles ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: A variational model for the analysis of axially loaded piers is presented. A closed-form solution technique employing an iterative procedure, is developed to obtain the displacement and forces in the pier along its axial direction. The method is suitable for similar analyses of pile foundations. It is shown that displacements and the load distribution along the axis of the pier compare well with a more sophisticated finite element solution. Furthermore, the new model complements the well-known Reese model employing t-z curves for the analysis of settlement of axially loaded piers. This new formulation using continuum mechanics principles, distributes the work done by the applied load as compressive strain energy in the pier, and as shear strain energy in the soil, as well as, the compressive strain energy in the soil surrounding the pier and at the bottom of the pier.
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    Announcement (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 77-77 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
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    URL: http://dx.doi.org/10.1002/nag.1610200202
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    NON-LINEAR FAULT BEHAVIOUR NEAR UNDERGROUND EXCAVATIONS  -  A BOUNDARY ELEMENT APPROACH (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 173-190 
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    ISSN: 0363-9061
    Keywords: stress/stability analysis ; constitutive modelling ; non-linear fault behaviour ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: A boundary element model for stress/stability analysis of underground excavations in the vicinity of faults is presented. The boundary element formulation adopts the fictitious stress method for the simulation of excavation boundaries and the displacement discontinuity method for the representation of faults. The numerical model employs the Barton-Bandis non-linear joint model for the modelling of the fault behaviour and linear elastic behaviour for the rock. An incremental-iterative in situ stress relaxation algorithm is implemented for the non-linear analysis of the faults. Both deformation and peak strength models of Barton-Bandis are incorporated for modelling the mechanical behaviour of the fault. The non-linear deformation of fault considers the effects of coupling between shear and normal stresses and displacement, joint closure, joint separation, hardening followed by post-peak or residual behaviour. The peak strength model employs a mobilized non-linear shear strength envelope. The differences between linear and non-linear simulation of the fault models are discussed. A comparison of model predictions with the classical Mohr-Coulomb peak strength model with constant joint stiffness is presented. The numerical model is used for a case study of Canadian hard rock underground mine. The shear and normal displacements along the fault during four mining sequences with backfill simulation are presented and discussed.
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 229-230 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
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    SILENT BOUNDARY CONDITIONS FOR WAVE PROPAGATION IN SATURATED POROUS MEDIA (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 253-273 
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    ISSN: 0363-9061
    Keywords: elastic porous media ; wave propagation ; first-order silent boundary technique ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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    Notes: Wave propagation both in one- and in two-dimensional saturated elastic porous media is analysed by means of a two-field finite element model with silent boundaries. An extension of the elastic ‘multidirectional’ transmitting boundary to two-phase media is developed to simulate the silent boundary condition. The theoretical assessment and the numerical formulation of the first-order silent boundary technique is presented in detail. Some examples are used to demonstrate the reliability of the first-order method, especially for problems with plane and axisymmetric waves having various angles of incidence. Finally, the wave propagation along a pile shaft is presented, to simulate a common non-destructive dynamic pile test.
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    PROPAGATION OF TORSIONAL SURFACE WAVES IN A HOMOGENEOUS SUBSTRATUM OVER A HETEROGENEOUS HALF-SPACE (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 287-294 
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    ISSN: 0363-9061
    Keywords: torsional surface waves ; propagation ; hoterogeneous half-space ; Engineering ; Engineering General
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    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: The paper discusses the propagation of torsional surface wave in a homogeneous substratum over a half-space with linearly varying rigidity and density. The study reveals that under assumed conditions, a torsional surface wave propagates in the medium. The velocities of torsional surface waves have been calculated numerically and are presented in a number of graphs. It is also observed that for a stratum over a homogeneous half-space, the velocity of torsional surface waves coincides with that of Love waves. For a non-homogeneous half-space it is observed that the velocity of torsional surface waves is always higher than that of Love waves propagated in a homogeneous layer over a homogeneous half-space. An attempt is also made to assess the possible propagation of torsional surface waves in a half-space with linearly varying rigidity and density, lacking a superficial layer. It is concluded that such a half-space allows two solutions for torsional waves while a homogeneous half-space has one.
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    FINITE ELEMENT ANALYSES OF ANISOTROPIC POROELASTICITY: A GENERALIZED MANDEL'S PROBLEM AND AN INCLINED BOREHOLE PROBLEM (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 381-401 
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    ISSN: 0363-9061
    Keywords: Poroelasticity ; FEM ; borehole ; anisotropy ; rock mechanics ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: The finite element equations for non-linear, anisotropic poroelasticity are cast in the form of measurable engineering constants. Two problems of importance to the rock and petroleum industry are analysed by the FEM. First, the classical Mandel's problem with an extension to transversely isotropic case is investigated. Second, the problem of an inclined borehole is explored. In particular, the effect of material anisotropy on stress concentration near the wall with implication to borehole instability is examined in detail.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
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    URL: http://dx.doi.org/10.1002/nag.1610200601
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    UNDRAINED CAVITY EXPANSIONS IN CRITICAL STATE SOILS (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 489-516 
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    ISSN: 0363-9061
    Keywords: cavity expansion ; critical state models ; plasticity ; pile installation ; normally and overconsolidated clays ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Boundary value problems for hardening/softening soils, such as Cam-Clay, usually require the extensive use of finite element methods. Here analytical and semi-analytical solutions for the undrained expansion of cylindrical and spherical cavities in critical state soils are presented. The strain is finite, the initial cavity radius is arbitrary and the procedure applicable to any isotropically hardening materials. In all cases only simple quadratures are involved, and in the case of the original Cam-Clay a complete analytical solution can be found. In addition to providing models of the behaviour of displacement piles and pressuremeters these results also provide valuable benchmark solutions for verifying various numerical methods.
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    A STUDY ON A NEW MECHANICAL MODEL FOR FOUNDATIONS AND ITS ELASTIC SETTLEMENT RESPONSE (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 595-604 
    Details
    ISSN: 0363-9061
    Keywords: compressibility ; elastic settlement ; geosynthetic-reinforced soil ; mechanical foundation model ; prestressing ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: In the present paper, a new foundation model has been proposed by introducing a stretched rough elastic membrane in the Pasternak shear layer sandwiched between two spring layers which is an extension of Kerr model. Considering the equilibrium of different elements, the equations governing the elastic settlement response of the model are derived. Finite difference scheme has been employed to solve the governing equations. The parametric studies carried out show the effect of several parameters on the elastic settlement response of the model. The proposed model is well suited for idealizing the behavior of geosynthetic-reinforced granular fill - soft soil system besides other applications.
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    NUMERICAL MODELLING OF METHANE GAS MIGRATION IN DRY COAL SEAMS (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 571-593 
    Details
    ISSN: 0363-9061
    Keywords: methane gas ; finite element ; coal mining ; diffusion ; adsorption ; outbursts ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: This paper presents the development of a mathematical model for methane gas migration in coal seams. The major focus of this model is the coupling between the gas flow and deformation of solid coal. The effect of diffusion of adsorbed methane gas from the solid matrix to the voids has been taken into account. The adsorption of gas in the coal seam causes a two-phase state of gas flow. The governing equation for the two-phase gas flow is a non-linear partial differential equation with non-linear boundary conditions. A finite element model has been developed for simulation of the distribution of pressure and concentration of methane gas due to gas migration in coal seams.
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    THE ‘NEW IMPLICIT METHOD’ FOR TUNNEL ANALYSIS (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 673-690 
    Details
    ISSN: 0363-9061
    Keywords: tunnel analysis ; new implicit method (NIM) ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Tunnel excavation is a coupled three-dimensional problem dealing with two different structures: lining and rockmass. For a simple application it is useful to develop simplified methods by treating the problem as plane strain.If the problem of tunnel face advance presents an axisymmetric geometry, then we show that the major parameter governing the ground-interface-lining interaction is the convergence of the tunnel U0 at the moment of the lining installation.The ‘New Implicit Method’ (NIM) presented in this paper makes use of principles similar to those of the ‘convergence-confinement’ method, but it provides a better appreciation of the coupled behaviour of rockmass and lining. For independent time constitutive laws (elasticity and plasticity), we point out that the convergence U0 depends not only on the mechanical behaviour of the rockmass and on the distance from the tunnel face, as predicted by the ‘convergence-confinement’ method, but also on the stiffness of the lining previously set.We present the ‘NIM’ for elastic and perfect elastoplastic rockmasses without dilatancy for many criteria. The development of this new method is based on the results of tunnel calculations with an axisymmetric FEM numerical model that takes into account the three-dimensional aspect of the problem.Using this method is simple and its results agree well with the FEM numerical results. Its accuracy is highly satisfactory for a geotechnical study.
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    BOUNDARY LAYER TRANSPORT OF METAL IONS IN FROZEN SOIL (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 693-713 
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    ISSN: 0363-9061
    Keywords: unfrozen layer ; osmotic ; diffusion ; transport ; moisture ; temperature ; optimization ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Two series of freezing column tests with distilled water and municipal solid waste leachate were investigated, using illitic silty clay. Temperature distributions along the freezing column were recorded as a function of distance and time. Unfrozen moisture content and osmotic pressures as a function of temperature were calculated.It was shown that temperature distributions as a function of distance and time were similar in all tests, probably as a result of the limited amount of moisture intake. The amount of moisture intake was directly related to freezing time and temperature gradient in the freezing column. Unfrozen moisture contents, ion concentrations and temperature gradients were identified as the controlling parameters that contributed to the boundary layer transport (BLT) of metal ions in frozen specimens. Na+ concentration profiles were mostly dependent on water movement in the freezing column. The behaviour of Ca2+ and Mg2+ cations was similar to Na+; their concentrations in the soil solution decreased with freezing time due to ion exchange.Temperature, moisture content in an unfrozen boundary layer (UBL), and concentration gradient were taken into consideration in the development of a boundary layer transport model (BLTM). Based on the experimental results and Powell's optimization technique, the diffusivity parameters of various metal ions were calculated. Comparison of experimental and predicted results indicated that the BLTM can predict the migration of metal ions in UBL.
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    EARTHQUAKE ANALYSIS OF GRAVITY DAMS BASED ON DAMAGE MECHANICS CONCEPT (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 725-751 
    Details
    ISSN: 0363-9061
    Keywords: damage mechanics ; earthquakes ; gravity dam ; damage evolution ; absorbing boundary ; anisotropic behaviour ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: In this paper, the seismic response analysis of concrete gravity dams is presented using the concept of Continuum Damage Mechanics. The analysis is performed using the finite element technique and a proper material degradation/damage model. The damage criterion used here is a second order tensor model based on elastic-brittle characterization and on a power function of the principal tensile stress. The methodology employed is shown to be computationally efficient and consistent in its treatment of both damage growth and propagation. Other important features considered in the analysis are: (1) dam-foundation interaction (2) appropriate modelling of joined rock mass using continuum damage mechanics, and (3) proper modelling of unbounded domain of foundation rock. The infinite media representation of the foundation material has been achieved by using doubly asymptotic approximation. The results of the analysis indicate that the seismic response of a damaged concrete dam could be significantly different from that of an undamaged one. In particular, the analysis shows that during a seismic event, the microstructure of a damaged zone can significantly change due to growth and propagation of microcracks.
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    A FINITE ELEMENT DOUBLE POROSITY MODEL FOR HETEROGENEOUS DEFORMABLE POROUS MEDIA (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 831-844 
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    ISSN: 0363-9061
    Keywords: double porosity ; consolidation ; fissured material ; coupled problems ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: The mathematical base of the double porosity concept, consisting of the continuity and equilibrium equation respectively, is briefly reviewed. A quasi-steady-state transfer function, the so-called leakage term, is used. Important aspects of the developed code, based on the double porosity theory, are presented together with two hypothetical example problems. The resulting trend of the settlements are compared to those from previous work and was found to be significantly different. However, the implications are that the present study exhibits a more realistic prediction for the settlement.
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    NUMERICAL MODELS IN GEOMECHANICS, G. N. Pande and S. Pietruszczak (Editors), ISBN: 90 5410568 2, 706 pages, Publisher: A. A. Balkema, Rotterdam, 1995 (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 907-908 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: No Abstract
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    FINITE ELEMENT MODELLING OF A DEEP SEA CLAY IN LONG-TERM LABORATORY CREEP TESTS (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 887-905 
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    ISSN: 0363-9061
    Keywords: creep ; modelling ; long-term ; triaxial ; drainage ; marine clay ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: A new finite element program is introduced and its predictive capabilities are compared to results from two long-term, drained laboratory creep tests on a deep sea clay. The constitutive behaviour is based on Cam clay critical state plasticity theory with creep and time-dependent hardening. Creep is computed using either Singh-Mitchell's three-dimensional equation or Taylor's secondary compression relationship. The experimental creep data include a triaxial specimen subjected to two deviatoric stress increments and a one-dimensional consolidation specimen subjected to three vertical stress increments. In addition, the pore pressure behaviour following an increase in stress is examined in the triaxial sample. Predictions compare favourably to test data, which provide confidence for applying the chosen constitutive model and numerical formulation to solve seabed-related problems on the continental slope that are of interest to geologists, the oil industry and the navy, among others.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200101
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200701
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    LOAD DISTRIBUTION ALONG FULLY GROUTED BOLTS, WITH EMPHASIS ON CABLE BOLT REINFORCEMENT (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 517-544 
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    ISSN: 0363-9061
    Keywords: rock reinforcement ; load distribution ; cable bolts ; fully grouted ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Explanation for the widely reported observation that fully grouted reinforcement is more effective in hard rock that behaves as a discontinuum than in soft rock is presented. Analytical solutions are presented for the distribution of displacement and load along an untensioned fully grouted elastic bolt, of specified bond stiffness, which is activated during excavation by either a continuous or discontinuous distribution of rock displacement. The results indicate that significantly higher axial loads are developed for the discontinuous case.Since the mechanics of bond failure depend on the type of bolt and grout used, in the second part of the paper a finite difference formulation is introduced and combined with a non-linear model for the bond behaviour of a cement grouted seven-wire strand cable bolt. The results of a parametric study indicate that, because the bond is frictional and depends on confinement at the borehole wall, for the same profile of rock mass displacement lower loads are developed in soft rock. Furthermore, in soft rock, excavation induced stress changes can cause a dramatic reduction in bond strength, so that, even after significant rock mass displacement, the axial load developed is significantly less than the tensile strength of the cable. A combination of these effects can explain why failures of cable bolted ground involve debonding at the cable-grout interface in soft rock, and why instances of cable rupture are confined to hard, blocky rock masses.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200801
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    NUMERICAL MODELLING OF CONSOLIDATION AND EVAPORATION OF SLURRIED MINE TAILINGS (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 647-671 
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    ISSN: 0363-9061
    Keywords: tailings ; consolidation ; evaporation ; salinity ; numerical modelling ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Large-strain consolidation theory has been used as the basis of a computer program for dealing with the problem of consolidation of slurried tailings. The work was carried out in the context of the gold-mining industry in Western Australia, where net annual evaporation rates are high (from about 3 to more than 4m/yr). Therefore, a simple, but effective, method of dealing with evaporation has been included in the model. The paper describes the model, and then uses it with some typical problems to illustrate its versatility and to show the complexity of the behaviour which can occur.
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 691-692 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200902
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610201001
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    Announcement and call for papers (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. ii 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610201202
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    FINITE ELEMENT MODELLING FOR LAND DISPLACEMENTS DUE TO PUMPING (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 79-99 
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    ISSN: 0363-9061
    Keywords: Land displacement ; groundwater pumping ; Galerkin finite element model ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Equations of equilibrium (force balance) and flow in multidimensions were coupled in this paper to describe land displacements due to pressure decline in aquifers. A Galerkin finite element model based on these equations was developed. The saturated/unsaturated behaviour and the isotropic/anisotropic properties of permeability and elasticity were considered when the model was formulated. This model was verified by comparing its simulation results with those of known analytical solutions for simplified cases. The simulation of displacements due to pressure decline in unsaturated media was also performed. Those results demonstrated that the choice of boundary ranges for an aquifer with infinite domain may significantly affect the estimated horizontal and vertical displacements. To obtain a good estimation of land displacements, the boundary ranges should be carefully chosen. The displacements occurring in unconfined aquifers are caused by the drop of the water table and the change in body force in the dewatering zone. Simulation results also indicated that the change in body force should be considered once an unconfined aquifer has been pumped. Otherwise, the horizontal and vertical displacements in unconfined aquifers would be overestimated and underestimated, respectively. The behaviour of land displacements due to pumping was shown to be affected by changes in the total stresses in aquifers.
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    ANALYSIS OF PILED RAFT SYSTEMS IN LAYERED SOIL (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 57-72 
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    ISSN: 0363-9061
    Keywords: piled raft systems ; raft-pile-soil interaction ; finite layer methods ; foundations ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: This paper presents a method of analysis for piled raft systems constructed in layered soils. The method presented takes account of the interactions of the raft, piles and soil without the cost of a full three-dimensional rigorous analysis. This is done by the use of finite layer methods for the analysis of the soil and finite element methods for the raft. Examples are provided in the paper for piled rafts constructed on layered soils, and results are presented for bending moments in the raft and loads in the piles.
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    AN INTERFACE MODEL FOR ANALYSIS OF DEFORMATION BEHAVIOUR OF DISCONTINUITIES (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 1-33 
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    ISSN: 0363-9061
    Keywords: interface constitutive model ; deformation behaviour ; spherical asperity interaction ; dual asperity interaction ; shear and dilatancy of joints ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: An interface constitutive model is presented accounting for slip and sliding effects and also for dilatancy phenomena. The microslip effects are described by considering spherical asperity interaction with variation of contact area and generation of progressive or reverse slip zones. The incremental constitutive equations are derived with proper memory rules accounting for generation and annihilation of particular slip zones during the process of variable loading. It is further assumed that sliding of spherical contacts occurs along large asperities whose slope varies due to the wear process. The predicted shear and dilatancy curves are shown to provide close quantitative simulation of available experimental data. The strain ratchetting effect for non-symmetric cyclic loading was exhibited using the asperity wear model. The model presented could be applied to simulate rock joints, masonry, or concrete cracked interfaces, under monotonic and cyclic loading.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200201
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    EXPERIMENTAL AND NUMERICAL SIMULATION OF SOLUTE TRANSPORT IN HETEROGENEOUS POROUS MEDIA (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 155-171 
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    ISSN: 0363-9061
    Keywords: pollutant migration ; solute breakthrough curves ; numerical simulation ; porous media ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: The effect of heterogeneity on solute transport in porous media is examined by means of physical experiments and controlled numerical simulations. The special cases of layered, clogged and aggregated porous media are particularly investigated. The breakthrough curves (BTCs) obtained from some sections of the physical models are extremely distorted with extended concentration tails. These tailings are caused by different trajectories of the tracer through fine (millimeter and centimeter) scale spatial heterogeneities. On the other hand, BTCs in sections of the physical models having no heterogeneous nature, showed classical ‘S’-shape.A computer simulation based on an improved capacitance model was used to match the experimental data. The BTCs can be represented adequately by the model. However, it seems necessary to determine the fitting parameters experimentally in order to relate them to actual physical phenomena.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
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    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
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    URL: http://dx.doi.org/10.1002/nag.1610200301
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    STRESS ANALYSIS OF A SAND PARTICLE WITH INTERFACE IN CEMENT PASTE UNDER UNIAXIAL LOADING (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 275-285 
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    ISSN: 0363-9061
    Keywords: elasticity ; stress analysis ; inclusion ; interface ; sand ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: In this paper, the stress states of a sand particle (or aggregate) with an interface layer in a cement paste (or mortar) subjected to uniaxial compression or tension are studied. This is a dual layer inclusion problem. The general analytical solutions of stresses and deformations are obtained in closed form, and the solutions of several special cases including the sand (or aggregate) treated as rigid body and as a hole as well as when the thickness of the interface layer approaches zero are also given.
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    A CUBIC STRAIN QUADRILATERAL FINITE ELEMENT (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 295-302 
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    ISSN: 0363-9061
    Keywords: cubic-strain quadrilateral ; predicting collapse-loads ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: In this paper, a fourth-order displacement (cubic strain) Serendipity quadrilateral element is presented. The shape functions and integration scheme are introduced, followed by a series of convergence tests, indicating that the element does not have any spurious zero-energy modes, and passes the patch test and single-element tests. Modifications are then made to enable the element's use in effective stress analysis problems. Examples are finally solved using the element and a comparison is made between some computed and closed-form solutions. It is also shown that the cubic strain quadrilateral may be used in conjunction with or as a substitute for the cubic strain triangle when predicting collapse loads for undrained plane or axisymmetric problems in the fully plastic range.
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    ELASTIC ANALYSIS OF BURIED STRUCTURES SUBJECT TO THREE-DIMENSIONAL SURFACE LOADING (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 331-349 
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    ISSN: 0363-9061
    Keywords: elasticity ; buried pipes ; surface heading ; soil-structure interaction ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: A method is presented which may be used to compute the displacements, strains and moments (both in-plane and transverse) in buried structures such as pipelines and culverts subjected to longitudinal bending. This type of bending can occur if a surface loading such as a vehicular loading or an embankment loading is applied to the soil above the pipe or culvert.Fourier transforms are used to reduce the three-dimensional problem to one involving only two spatial directions, thereby reducing the data preparation and computation time. Conventional finite element analysis is used to approximate the field quantities in the transformed two-dimensional plane. Two Fourier integral element types have been developed which have many applications in geotechnical engineering.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200501
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    A NOTE ON THE SOLUTION TO THE DIFFUSION EQUATION (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 443-452 
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    ISSN: 0363-9061
    Keywords: heat-fluid-stress diffusion ; Gauss-Legendre ; Laplace transform ; Stehfest method ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Three methods (Gauss-Legendre method, Stehfest method and Laplace transform method) are used to evaluate a solution of a coupled heat-fluid linear diffusion equation. Comparing with the results by Jaeger, the accuracy and efficiency of the Stehfest and Gauss-Legendre methods and the limitations of the truncated solutions obtained by Laplace transformation are discussed. It is concluded that the Stehfest method gives accurate results and is numerically more efficient than the other two methods, particularly for the solutions in early time. Two transformations with u=-ln(x) and u=arctan(xπ/2), where u is the original integral variable, are considered in the Gauss-Legendre method.
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    NUMERICAL STUDIES OF THE MOMENT CARRYING CAPACITY OF A SHORT PIER FOUNDATION IN A CLAY SOIL (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 431-442 
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    ISSN: 0363-9061
    Keywords: foundations ; rigid pier ; moment carrying capacity ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Numerical predictions of the immediate moment carrying capacity of a short pier foundation in saturated clay are presented. Three-dimensional finite element analyses are carried out using linear and non-linear programs and using a linear axi-symmetric program.Preliminary investigations are made to determine suitable boundary distances for analysis at full-scale and size of loading increment for non-linear analyses.Predictions of the behaviour of prototype pier and of conventional and centrifuge models of this pier are then made. It is shown that the axi-symmetric program yields significantly higher rotations per unit moment than the linear three-dimensional program and that, using both of these programs, elastic analyses of the conventional and centrifuge models and of the prototype yield very similar results. It is also shown that non-linear analyses of the conventional and centrifuge models yield significantly different moment/rotation relationship in accordance with the behaviour actually observed in the model tests. The relationship obtained for the centrifuge model is shown to differ only slightly from that obtained for the prototype, due to the boundary restrictions in the model, and to be of the same order as the centrifuge test result at working condition but not at ultimate capacity.
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 545-546 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200702
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    Announcement and call for papers (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. ii 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610201102
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  • 91
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    AN EULEREAN FINITE ELEMENT MODEL FOR PENETRATION IN LAYERED SOIL (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 865-886 
    Details
    ISSN: 0363-9061
    Keywords: finite element method ; large deformation ; cone penetration test ; layered soil ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: An Eulerean large-strain finite element formulation is presented to simulate static soil penetration. The method is an extension of the Updated Lagrangean description to an Eulerean formulation taking into account convection of deformation-history-dependent properties as well as material properties. The strength of the soil is characterized by a non-associated Drucker-Prager criterion which depends on peak and critical friction angles. The model is applied to cone penetration in two-layer systems: (a) clay on sand and (b) sand on clay.
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    ANALYSIS OF PILES USED FOR SLOPE STABILIZATION (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 635-646 
    Details
    ISSN: 0363-9061
    Keywords: slope stabilization ; piles ; soil response modelling ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: Piles used for the stabilization of slopes have to be adequately designed to resist the induced lateral loads due to the movement of the unstable slope. In this paper, a numerical method is presented for the analysis of this problem. In this approach, the piles are modelled using beam finite elements. The soil response at the individual piles is modelled using the modulus of subgrade reaction and pile-soil-pile interaction considered using the theory of elasticity. Two case histories, one for single pile and the other for pile group, are analysed which show that the numerical model can predict the general characteristics of the piles reasonably well. The study suggests that the design of the piles based on the computed response from single pile analysis, ignoring group effects, may be unduly conservative.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610200901
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    INVESTIGATION OF IMPACT STRESSES INDUCED IN LABORATORY DYNAMIC COMPACTION OF SOFT SOILS (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 753-767 
    Details
    ISSN: 0363-9061
    Keywords: dynamic ; compaction ; soil ; damping ; non-linear stressing ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: The majority of currently available analytical tools to predict ground stresses due to impact are based on linear spring-dashpot dynamic models. Although these simple models adequately represent stiff ground possessing linear visco-elastic behaviour, they suffer from two striking limitations when applied to relatively softer ground; (1) the inability to account for the permanent deformation resulting from impact, (2) failure to incorporate stiffness changes of softer soil within the impact duration. In this paper, the authors present an improved analytical approach formulated on the basis of a series of laboratory impact tests, to address the shortcomings of the current dynamic models in relation to soft soils. In this procedure, the impact zone is modelled as three distinct zones; (1) a zone beneath the falling weight undergoing non-linear axial deformation while being in vertical motion, (2) an inner zone immediately surrounding zone 1 with non-linear shear deformation, and (3) an outer zone undergoing a relatively lower degree of (linear) shear deformation. The soil constitutive parameters pertinent to the model are obtained from a modified dynamic compression test that simulates the impact conditions. It is shown that analytical predictions of the impact stress history and penetration are in agreement with test results. The findings are useful in the exploration of dynamic compaction techniques that will be effective in soft soil improvement.
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610201101
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    Conference diary (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 845-846 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610201103
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    Masthead (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996) 
    Details
    ISSN: 0363-9061
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nag.1610201201
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    AN INTERFACE MODEL TO DESCRIBE VISCOPLASTIC BEHAVIOR (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 231-252 
    Details
    ISSN: 0363-9061
    Keywords: interfaces and joints ; landslides ; viscoplastic behavior ; hierarchical single surface models ; laboratory testing ; calibration ; finite element method ; validations ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: A constitutive model to describe viscoplastic or time-dependent behaviour of interface materials is presented. Viscoplastic characteristics of the interface material are modeled based on Perzyna's theory of viscoplasticity and the Hierarchical Single Surface (HiSS) series of constitutive models. Experiments performed using a new interface test device to characterize the behaviour of cohesive soil-rock interfaces are described. Procedures to derive model parameters are presented together with validation of the model. Finite element implementation of the interface element is described along with verification of the model with respect to field behaviour of a creeping natural slope.
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    PROPAGATION OF RAYLEIGH WAVES IN A HETEROGENEOUS INCOMPRESSIBLE SUBSTRATUM OVER A HOMOGENEOUS INCOMPRESSIBLE HALF-SPACE (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 365-375 
    Details
    ISSN: 0363-9061
    Keywords: Rayleigh waves ; propagation ; heterogeneous incompressible substratum ; homogeneous incompressible half-space ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: The paper studies the propagation of Rayleigh waves in an incompressible layer with general variation of rigidity as μ=μ0(1+bz)m resting over a homogeneous incompressible elastic half-space. Instead of using the Whittaker function, the expansion formula proposed by Newlands has been used for better results at shallow depths. As a particular case for m=1, the results have been shown to coincide with those obtained by Newlands. The velocities have been computed for different values of m and the results are presented in graphs.
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    THE SETTLEMENT OF A RIGID CIRCULAR FOUNDATION RESTING ON A HALF-SPACE EXHIBITING A NEAR SURFACE ELASTIC NON-HOMOGENEITY (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    International Journal for Numerical and Analytical Methods in Geomechanics 20 (1996), S. 351-364 
    Details
    ISSN: 0363-9061
    Keywords: elastic non-homogeneity ; circular foundation ; elastic indentation ; integral equations ; weathered crust ; contact problem ; surface non-homogeneity ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Notes: The present paper examines the elastostatic problem pertaining to the axisymmetric loading of a rigid circular foundation resting on the surface of a non-homogeneous elastic half-space. The non-homogeneity corresponds to a depth variation in the linear elastic shear modulus according to the exponential form G(z)=G1+G2e-ζz. The equations of elasticity governing this type of non-homogeneity are solved by employing a Hankel transform technique. The mixed boundary value problem associated with the indentation of the half-space by the rigid circular foundation is reduced to a Fredholm integral equation which is solved via a numerical technique. The numerical results presented in the paper illustrate the influence of the near-surface elastic non-homogeneity on the settlement of the foundation.
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