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Journal of the American Chemical Society

Volumn 123, Issue 9, 2001, Pages 2007-2017

Variational principles for describing chemical reactions. Reactivity indices based on the external potential

(2) Ayers, P W a Parr, R G a

a University of North Carolina at Chapel Hill (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BRONSTED-LOWRY ACIDS; TAYLOR SERIES THEORY;

MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POTENTIAL ENERGY; VARIATIONAL TECHNIQUES;

ASSOCIATION REACTIONS;

ARTICLE; CHEMICAL REACTION; ELECTRIC FIELD; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; GEOMETRY; MOLECULAR DYNAMICS; REACTION ANALYSIS;

EID: 0035819955 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja002966g Document Type: Article

Times cited : (172)

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