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  • 1
    Electronic Resource
    Electronic Resource
    Density functional study of the intershell interaction energy in carbon onions (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 56 (1995), S. 689-696 
    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 intershell interaction energy in carbon onions is self-consistently obtained by using the local density approximation for the π electrons in a spherically averaged pseudopotential. Onions formed by two, three, and four shells with up to 1800 atoms are considered. Our results agree well with recent large-scale ab initio calculations and with experimental evidence that onions are more stable than are single fullerenes for cluster sizes larger than 100 atoms. The small electronic redistribution that takes place when onions are formed supports the picture of weak van der Waals forces between single fullerenes. © 1995 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560560606
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Raman, pre-resonance Raman and electronic spectra of iron(II) saccharinate (1992)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 23 (1992), S. 15-20 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Raman spectrum of solid [Fe(Sac)2 (H2O4)] · 2H2O was recorded and assigned. Some comparisons with the spectra of the related copper(II) and nickel(II) complexes were also made. The excitation profiles of the vibrational modes that show pre-resonance on excitation with laser lines within the electronic bands are reported. On this basis, and with the aid of a semi-empirical extended Hückel MO calculation, the assignment of the metal - ligand vibrations and the interpretation of the electronic spectrum could be reinforced.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250230103
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Raman, pre-resonance Raman and electronic spectra of the anion [VO2Q2]- (Q = 8-hydroxyquinolinate) (1992)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 23 (1992), S. 273-279 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Raman spectrum of Na[VO2Q2] was recorded and assigned by comparison with related species. The excitation profiles of the vibrational modes that show pre-resonance on excitation using laser radiation within the electronic bands are reported and three different types of profiles could be found. The electronic spectrum of the anion was also recorded and interpreted with the aid of a semi-empirical MO calculation. This calculation, together with the results of the pre-resonance experiments, also reinforced some of the vibrational assignments.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250230506
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Raman, Pre-resonance Raman and electronic spectra of [VO(biuret)(SO4)] · 3H2O (1993)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 24 (1993), S. 627-631 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Information on the vibrational and electronic properties of the [VO(biuret)(SO4)] · 3H2O complex was improved in order to gain a deeper insight into the characteristics of the metal-ligand bonds. Normal Raman and pre-resonance Raman studies were performed, which allowed a better characterization of the metal-ligand modes and a thorough analysis of the electronic spectrum. The results were also compared with theoretical semi-empirical molecular orbital calculations.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250240912
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    Paper (German National Licenses)
    Fulltext
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