The problem of perturbation molecular orbital aromaticity estimates

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Bibliographic Details
Published in:Journal of physical chemistry (1952) 1987-04, Vol.91 (9), p.2422-2428
Main Authors: Durkin, Kathleen Anne, Langler, Richard Francis
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.)
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ISSN:0022-3654
1541-5740
DOI:10.1021/j100293a043