✦ LIBER ✦

Perturbation treatment of multiple site reactivity. II. Additivity in trimolecular interactions

✍ Scribed by Shih Y. Chang; Harel Weinstein

Publisher: John Wiley and Sons
Year: 1978
Tongue: English
Weight: 477 KB
Volume: 14
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560140612

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✦ Synopsis

Abstract

A multiple perturbation method for the study of molecular reactivity following multiple site interactions has been extended to trimolecular systems. The theory is reformulated by the many‐body diagrammatic method. While adding no new physical content to the previous theory, the present formulation allows for a systematic way of evaluating higher‐order energies. The additivity of perturbation contributions to the modification of molecular reactivity is tested on dihydrated adenine. The results compare favorably with supermolecule calculations.

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