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  • 1
    Electronic Resource
    Electronic Resource
    Relativistic effects in the electronic structure of the monoxides and monocarbonyls of Ni, Pd, and Pt: Local and gradient-corrected density functional calculations (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 3695-3702 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Using a scalar relativistic version of the linear combination of Gaussian-type orbitals density functional method we have computed electronic and spectroscopic properties of the monoxides and monocarbonyls of Ni, Pd, and Pt. All-electron calculations with large basis sets were performed at both the local and the gradient-corrected density functional level. It is found that relativistic effects play a crucial role in Pt compounds, in particular as far as the metal–ligand distance is concerned. At the relativistic level the Pt–O and the Pt–CO distances are shorter than the corresponding Pd–O and Pd–CO bond lengths. Thus the trend in the metal–ligand distances is Ni〈Pt〈Pd. This is connected to a considerable relativistic strengthening of the Pt–O and Pt–CO bonds. Gradient corrections significantly reduce the computed binding energies, but are much less important for geometry and vibrational frequencies. They cause a more or less similar weakening and lengthening of the bonds which is quite independent of the metal considered. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468551
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  • 2
    Electronic Resource
    Electronic Resource
    Carbonylated Nickel Clusters: From Molecules to Metals (1995)
    s.l. : American Chemical Society
    Accounts of chemical research 28 (1995), S. 390-397 
    Details
    ISSN: 1520-4898
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ar00057a005
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  • 3
    Electronic Resource
    Electronic Resource
    The adsorption of acetylene on Ni(110): An experimental and theoretical study (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 9709-9724 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The adsorption of acetylene on Ni(110) was investigated by temperature programmed desorption (TPD), low energy electron diffraction (LEED), angle resolved ultraviolet-photoelectron spectroscopy (ARUPS), and near edge x-ray absorption fine structure (NEXAFS) measurements, as well as by detailed model cluster calculations and slab model band structure calculations. By combining the experimental results and those of the cluster studies an orientation of the molecules is deduced with the C–C axis parallel to the surface and preferentially aligned along the substrate troughs ([11¯0] azimuth) as well as with a highly coordinated adsorption site in the substrate troughs. A detailed analysis of the photoemission spectrum is given. The proposed adsorption geometry is corroborated by band structure calculations for various alternative sites and orientations that are shown to be very sensitive to the azimuthal orientation of the adsorbed molecules. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468790
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  • 4
    Electronic Resource
    Electronic Resource
    Ground state characteristics and optical spectra of Ce and Eu bis(octaethylporphyrinate) double deckers (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 13819-13829 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100038a012
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  • 5
    Electronic Resource
    Electronic Resource
    Resonant Raman Scattering Near the E〈sub〉1〈/sub〉 Gap of HgTe(Hg,Cd)Te Heterostructures (1995)
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 182-184 (Feb. 1995), p. 207-210 
    Details
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/02/01/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.182-184.207.pdf
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  • 6
    Electronic Resource
    Electronic Resource
    Biochemical genetic study of sympatric Lake Constance whitefish (Coregonus lavaretus) populations: “Blaufelchen” and “Gangfisch” (1995)
    Springer
    Aquatic sciences 57 (1995), S. 136-143 
    Details
    ISSN: 1420-9055
    Keywords: Allozymes ; biochemical genetics ; Coregonus lavaretus ; electrophoresis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Ripe females of whitefish (Coregonus lavaretus) of Lake Constance were caught at spawning time on their known spawning sites. Fish were examined for their size, gill-raker number, and for their egg dry weight. On the basis of their spawning sites as well as on correlation between body weight and egg weight, fish were allocated at one of the two sympatric populations: nearshore spawning “Gangfisch” or pelagic spawning “Blaufelchen”. The two fish samples were examined electrophoretically for the enzyme products of 37 genetic loci. Blaufelchen and Gangfisch were genetically identical (Nei's unbiased genetic distance D = 0.000) when all fish samples were included into the analysis. However, some genetic differentiation (D = 0.001) was evident after excluding the fish whose data points on body weight versus egg weight overlapped. Additional enzyme systems or some other genetic methodology should be used to provide more information on the genetic status of the two whitefish forms in Lake Constance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00877382
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  • 7
    Electronic Resource
    Electronic Resource
    Stable crystalline adducts of 1,6-bis(o-hydroxyanilino)-1,5-hexadiene-3,4-dione withN,N-dimethyl carboxamides and urea derivatives (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 493-498 
    Details
    ISSN: 1572-8854
    Keywords: Solvent adducts ; intermolecular H bonds ; thermogravimetry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The red colored and poorly soluble 1,6-bis(o-hydroxyanilino)-1,5-hexadiene-3,4-dione (3f) forms stable adducts5 and7 of exact stoichiometric ratios withN,N-dimethyl carboxamides4 and ureas6. The adducts are yellow colored and easily soluble in organic solvents. The crystal structure of3f (monoclinic space groupP2 1/c witha=7.903(2),b=10.941(2),c=8.976(3) Å, β=90.13(2)°) indicates planarity with extensive delocalization of the π-electrons. The poor solubility is referred to the formation of strong intermolecular hydrogen bonds (H(O)...O3 andH(O′)...O′3=1.79 Å). The crystal structure of the 1∶2 DMF adduct5a (monoclinic space groupP2 1/c witha=6.068(1),b=19.668(2),c=10.645(1) Å, β=107.791(8)°) shows a less pronounced delocalization of the π-electrons which might be the explanation for the color change from red to yellow. In5a the intermolecular hydrogen bonds of3f are interrupted by forming new hydrogen bonds from the hydroxyl group to the carbonyl group of DMF (H(O)...O(L) andH(O′)...O(L)=1.86 Å), whereby the solubility is markedly changed. The thermal stability of the addition products5 and7 was determined by thermogravimetry.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665706
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  • 8
    Electronic Resource
    Electronic Resource
    N2 and CO molecules as probes of zeolite acidity: an infrared spectroscopy and density functional investigation (1995)
    Springer
    Catalysis letters 31 (1995), S. 273-285 
    Details
    ISSN: 1572-879X
    Keywords: Brønsted acidity of zeolites ; N2 and CO probes ; H-bonding ; FTIR spectroscopy ; adsorption-induced change of vibrational frequencies and intensities ; density functional cluster models ; gradient corrected exchange-correlation functionals
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The interaction of N2 with Brønsted acid centers of H-ZSM-5 zeolite has been investigated employing Fourier transform infrared spectroscopy and cluster model calculations based on a gradient corrected density functional method. A comparison is made with CO, which is widely used as a probe for surface acidity. It is shown that the computational approach is capable of almost quantitatively reproducing a number of sensitive parameters of the H-bonded dinitrogen and carbonyl complexes, like adsorption energy, adsorption-induced changes of the vibrational frequencies and of their intensities. According to a constraint space orbital variation analysis, the carbonyl and dinitrogen complexes mainly differ by the somewhat stronger σ donation ability of CO as compared to N2. It is concluded that dinitrogen may serve as a convenient probe for the acidity of zeolites.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00808840
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  • 9
    Electronic Resource
    Electronic Resource
    Baumstammodelle zur Simulation von Holzmaserungen (1995)
    Springer
    Holz als Roh- und Werkstoff 53 (1995), S. 221-224 
    Details
    ISSN: 1436-736X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s001070050075
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  • 10
    Electronic Resource
    Electronic Resource
    Mechanical and morphological properties of elastomer-modified polypropylene/polyamide-6 blends (1995)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 56 (1995), S. 1599-1605 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Polypropylene/polyamide-6 (70:30) blends, containing dispersed discrete polyamide-6 microphases as matrix reinforcement, represent attractive materials for engineering applications. In order to enhance impact resistance, ethene/propene (EPM) was incorporated as a second separately dispersed microphase using reactive blending technology. Blend morphologies were controlled by adding maleic-anhydride-grafted-polypropylene (PP-g-MA) as compatibilizer during melt processing, thus enhancing dispersion and interfacial adhesion of the polyamide-6 phase. With PP-g-MA volume fractions increasing from 2.5 to 10 vol %, much finer dispersions of discrete polyamide-6 with average domain sizes decreasing from 8 to 0.8 μm were obtained. When polyamide-6 and ethene/propene (EPM)-rubber are dispersed simultaneously in the polypropylene matrix, impact resistance was improved. The influence of PP-g-MA volume fraction and blend morphologies on mechanical properties such as Young's modulus, yield stress, notched Charpy impact resistance was investigated. The ternary polypropylene/polyamide-6/EPM blend properties were compared with those of binary polypropylene blends containing the equivalent volume fraction of EPM. © 1995 John Wiley & Sons, Inc.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1995.070561210
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