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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 17 (1970), S. 327-328 
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The conformation of 2,2′-bipyridyl and 5,5′-bis-isoxazole is studied by the CNDO/2 method. Calculations suggest that the trans configuration is more stable than the cis for both systems. For 2,2′-bipyridyl a minimum for a non planar form is inferred.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 487-501 
    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: Wave functions expressed as antisymmetrized products of strongly orthogonal geminals have been evaluated for H2O, NH3 and CH4. The geminals have been expressed as linear combinations of 2 × 2 detors constructed with localized SCF-MO's. Several ground state observables have been computed together with the electric polarizabilities and magnetic susceptibilities. In addition, a configuration interaction calculation limited to all possible double group excitations has been carried out.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 112 (1968), S. 197-209 
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Description / Table of Contents: Dipolmomente einiger Proben verschiedener Stereoregularität von Poly-[(S)-1 -methyl-propyl]-vinyläther (A) und Poly-[(S)-2-methyl-butyl]-vinyläther (C) wurden bestimmt und mit den Ergebnissen von Messungen an Proben mit vergleichbarer Stereoregularität von Polyisopropylvinyläther (B) und Polyisobutylvinyläher verglichen.Es ergab sich: (a) keine bemerkenswerte Abhängigkeit der Dipolmomente von der Steroregularität, mit Ausnahme von (B), dessen am meisten isotaktische Fraktion das niedrigste Dipolmoment aufweist; (b) daß das Dipolmoment der am meisten stereoregulären Fraktion von (A) höher ist als das der entsprechenden Fraktion der nicht optisch aktiven Modellverbindung (B); (c) daß für die Fraktionen, die eine hohe und vergleichbare Stereoregularität besitzen, die Dipolmomente für (A) und (B) niedriger sind, weil dort das an der Verzweigung liegende Kohlenstoffatom der Seitenkette der Hauptkette näher ist.Diese Daten können aus den Unterschieden in den Konformationsgleichgewichten verstanden werden, die für die Hauptkette solcher gelöster Polymeren zu erwarten sind.
    Notes: Dipole moments of some samples having different stereoregularity of poly-[(S)-l-methyl-propyl]-vinyl ether (A) andn poly-[(S)-2-methyl-buthyl]-vinyl ether (C) have been determined and compared with those of samples having comparable stereoregularity of polyisopropyl-vinyl ether (B) and poly-isobutyl-vinyl ether (D).The results indicate: (a) no remarkable dependence of dipole moments on stereoregularity, except for (B), of which the most isotactic fraction has the lowest moment; (b) the dipole moment of the most stereoregular fraction of (A) is higher than that of the corresponding fraction of the non optically active model compound (B); (c) for fractions having high and comparable stereoregularity, the dipole moments are lower in the case of (A) and (B), in which the branched carbon atom of the side group is nearer to the main chain.These data can be interpreted on the basis of the differences in conformational equilibria expected for the main chain of such polymers in solution.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
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