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:
A further step is made in investigating the zero-point vibrational energies En (or the total pielectron energies En for the case of alternant hydrocarbons) of lineraly extended system B—An—B′ having n repeating identical moieties. By an approach using the aspects of form and general topology, an integral representation αint of a fundamental functional α, where α(ϕ) = limn→∞ (En(ϕ)/n), has been established, which enables one to treat these energies quantitatively in a unified manner.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560410407