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Structures and 1H-chemical shifts of conjugation deficient hydrocarbons (1986)

Vogler, H.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 30 (1986), S. 97-107

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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 geometrical and electronic structures and the 1H-chemical shifts of some conjugation deficient hydrocarbons and their benzenoid isomers 1-3 which consist of two concentric perimeters have been studied by means of semiempirical procedures. Conclusions on the importance of macrocyclic annulenoid conjugation are drawn from the bond lengths pattern and the proton shifts in these compounds.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560300110

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