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  • Wiley-Blackwell  (50)
  • 1995-1999  (50)
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Keywords
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Year
  • 1
    Electronic Resource
    Electronic Resource
    Unexpected Hydroxyspirolactone Formation upon Baeyer-Villiger Oxidation of a trans-α-decalone (trans-octahydronaphthalen-1(2H)-one) and X-ray structure of the product (1995)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 78 (1995), S. 887-890 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: trans-4,4,10-Trimethyl-9-decalone ( = trans-5,5,8a-trimethyl-octahydronaphthalen-1(2H)-one; 1), when treated with trifluoroperacetic acid, gave the unexpected hydroxyspirolactone 7-hydroxy-7,11,11-trimethyl-1-oxaspiro[5.5]undecan-2-one (6), in which the two new O-atoms were introduced in a 1,2-trans relationship. The structure of this compound was conclusively proven by X-ray crystallography. The process involves the intermediacy of 7-membered lactone 2, the expected Baeyer-Villiger product, which could also be successfully prepared under controlled conditions at 0° in a buffered medium containing Na2HPO4.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19950780411
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  • 2
    Electronic Resource
    Electronic Resource
    Structural homeomorphism between the electron density and the virial field (1996)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 57 (1996), S. 183-198 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The virial field V(r) is defined by the local statement of the quantum mechanical virial theorem, as the trace of the Schrödinger stress tensor. This field defines the electronic potential energy density of an electron at r and integrates to minus twice the electronic kinetic energy. It is the most short-ranged description possible of the local electronic potential energy and it exhibits the same transferable behavior over bounded regions of real space (corresponding to the functional groups of chemistry) as does ρ(r). This article establishes a structural homeomorphism between -V(r) and ρ(r), showing that the two fields are homeomorphic over all of the nuclear configuration space. The stable or unstable structure defined by the gradient vector field Δρ(r; X) for any configuration X of the nuclei can be placed in a one-to-one correspondence with a structure defined by the field -ΔV(r; X′). In particular, a molecular graph for ρ(r) defining a molecular structure is mirrored by a corresponding virial graph for V(r) and the lines of maximum density linking bonded nuclei in the former field are matched by a set of lines of maximally negative potential energy density in the latter. The homeomorphism is also geometrically faithful, an equilibrium geometry in general, exhibiting equivalent structures in the two fields. The demonstration that the virial field, whose integrated value equals twice the total energy, is essentially just a locally scaled version of the electron density is suggestive of possible new approaches in density functional theory. © 1996 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Effect of Dimethylol Urea as a Flame Retardant Formulation on Some Cellulosic Fabric Materials (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Fire and Materials 20 (1996), S. 155-157 
    Details
    ISSN: 0308-0501
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Samples of unscoured, scoured, bleached and mercerized cellulosic fabrics were treated with dimethylol urea (DMU). It was observed that this treatment imparted to the fabrics flame retardant (FR) characteristics. These observations were interpreted in terms of the fact that DMU reacts bifunctionally with glucopyronosyl hydroxyls in such a way that a three-dimensional (hence more stable) structure develops in addition to the possibility of release of acid residues within the flaming zone.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Effect of Ammonium Hydrogen Carbonate and Sodium Bromide on the Flammability of Hardboard (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Fire and Materials 20 (1996), S. 297-299 
    Details
    ISSN: 0308-0501
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The fire retardancy properties of hardboard treated with ammonium hydrogen carbonate (AHC) and sodium bromide were investigated by measuring their ignition time and flame temperature. An increase in ignition time and lowered flame temperature were observed with increased flame retardant (FR) concentration. AHC was found to be less effective as a fire retardant for this material. © 1996 by John Wiley & Sons, Ltd.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Note: Effect of some halogenated flame retardants on the thermal characteristcs of selected tropical construction materials (1995)
    New York, NY [u.a.] : Wiley-Blackwell
    Fire and Materials 19 (1995), S. 191-195 
    Details
    ISSN: 0308-0501
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The effects of some halogenated flame retradants (FR), sodium bromide and ammonium cupric chloride dihydrate (ACCD) on the thermal behaviour of roofing palm (Borassus aethiopun) and rattan palm (calamus deeratus) were studied. Their ignition time, flame propagation rate and afterglow time were investigated. No ignition occurred on the materials treated with 0.4M ACCD and no ignition was observed on roofing palm treated with 0.8M sodium bromide. Flame propagation rate and afterglow time were drastically reduced. Gravimetric analysis showed that these retardants acted by vapour phase and condensed phase mechanisms. An increase in char formation was also noted as a result of this treatment in all cases.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/fam.810190405
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  • 6
    Electronic Resource
    Electronic Resource
    A molecular mechanics/grid method for evaluation of ligand-receptor interactions (1995)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 16 (1995), S. 454-464 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We present a computational method for prediction of the conformation of a ligand when bound to a macromolecular receptor. The method is intended for use in systems in which the approximate location of the binding site is known and no large-scale rearrangements of the receptor are expected upon formation of the complex. The ligand is initially placed in the vicinity of the binding site and the atomic motions of the ligand and binding site are explicitly simulated, with solvent represented by an implicit solvation model and using a grid representation for the bulk of the receptor protein. These two approximations make the method computationally efficient and yet maintain accuracy close to that of an all-atom calculation. For the benzamidine/trypsin system, we ran 100 independent simulations, in many of which the ligand settled into the low-energy conformation observed in the crystal structure of the complex. The energy of these conformations was lower than and well-separated from that of others sampled. Extensions of this method are also discussed. © 1995 by John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540160409
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  • 7
    Electronic Resource
    Electronic Resource
    Effect of draw ratio on the structure of aromatic copolyimide fibers of random monomer sequence (1995)
    Weinheim : Wiley-Blackwell
    Acta Polymerica 46 (1995), S. 261-266 
    Details
    ISSN: 0323-7648
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: X-ray methods have been used to investigate the structure of fibers of aromatic copolyimides prepared from 3,3′,4,4′-biphenyltetracarboxylic dianhydride (BPDA), o-tolidine (OTOL) and p-phenylene diamine (PPD). We have shown previously that the non-periodic layer lines in the X-ray fiber diagrams of these copolymers are indicative of a random comonomer sequence. In the present paper, we analyze the shifts in the layer line positions that occur with increasing draw ratio. These changes are to be understood primarily in terms of increases in the correlation lengths for the stiff chain conformation. At high draw ratios there is also evidence for the development of a more extended chain conformation, probably due to torsional variation changes in the torsion angles. It is shown that the data are sufficiently sensitive to allow quantitative analysis of these separate effects, and their dependence on comonomer ratio.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/actp.1995.010460308
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  • 8
    Electronic Resource
    Electronic Resource
    Entwicklungen zur Abscheidung flüssiger Schlacketropfen aus heißen Rauchgasströmen unter Druck (1997)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 69 (1997), S. 1238-1239 
    Details
    ISSN: 0009-286X
    Keywords: Chemistry ; Industrial Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330690934
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  • 9
    Electronic Resource
    Electronic Resource
    A successive bounding method to find the exact eigenvalues of transcendental stiffness matrix formulations (1995)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 38 (1995), S. 1057-1067 
    Details
    ISSN: 0029-5981
    Keywords: bounding exact ; transcendental eigenproblems ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An alternative algorithm for finding exact natural frequencies or buckling loads from the transcendental, e.g. dynamic, stiffness matrix method is presented in this paper and evaluated by using the plate assembly testbed program VICONOPT. The method is based on the bounding properties of the eigenvalues provided by either linear or quadratic matrix pencils on the exact solutions of the transcendental eigenvalue problem. The procedure presented has five stages, including two accuracy checking stages which prevent unnecessary calculations. Numerical tests on buckling of general anisotropic plate assemblies show that significant time savings can be achieved compared with an earlier multiple determinant parabolic interpolation method.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620380612
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  • 10
    Electronic Resource
    Electronic Resource
    Zur Struktur und Konstitution von Dichloro(tetraalkylcyclobutadien)platin(II)-Komplexen (1995)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 621 (1995), S. 1421-1425 
    Details
    ISSN: 0044-2313
    Keywords: Platinum complexes ; cyclobutadiene complexes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Structure and Constitution of Dichloro(tetraalkylcyclobutadiene)platinum(II) ComplexesHexachloroplatinic acid reacts in n-butanol with alkylsubstituted acetylenes RC≡CR (R = Me, Et) to give [PtCl2(C4R4)] (R = Me (1), R = Et (2)). The X-ray structure analysis of 1 (C2/m; a = 1 370.3(2), b = 1 128.3(1), c = 691.21(7) pm, β = 96.10(1)α; Z = 4) shows that 1 is monomeric and not dimeric as was described in the literature. Furthermore, 1 and 2 were extensively studied by i.r., Raman, and n.m.r. spectroscopical investigations.
    Notes: Hexachloroplatin(IV)-säure reagiert in n-Butanol mit alkylsubstituierten Acetylenen RC≡CR (R = Me, Et) zu Platincyclobutadien-Komplexen [PtCl2(C4R4)] (R = Me (1), R = Et (2)). Die Röntgeneinkristallstrukturanalyse von 1 (C2/m; a = 1 370,3(2), b = 1 128,3(1), c = 691,21(7) pm, β = 96 10(1)°; Z = 4) belegt, daß 1 monomer und nicht - wie bisher beschrieben - dimer aufgebaut ist. Desweiteren sind 1 und 2 umfassend durch IR-, Raman- und NMR-spektroskopische Untersuchungen charakterisiert.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19956210823
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