ISSN:
1432-2234
Keywords:
Heterocyclic compounds
;
Pyrrole
;
Geometry optimization by the force method
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Equilibrium geometries of five- and six-membered aromatic molecules have been calculated by applying the force method of the CNDO/2 procedure. The calculated and experimental geometries agree surprisingly well. The reliable values obtained for bond angles are of special importance in calculating molecular conformations.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00528486
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