Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 6, 2003, Pages 2033-2038

  Gironés, Xavier ^a   Carbó Dorca, Ramon ^a   Ponec, Robert ^b  

^a UNIVERSITY OF GIRONA   (Spain)

^b INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; DISSOCIATION; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; SUBSTITUTION REACTIONS; TOPOLOGY;

HAMMETT SIGMA CONSTANTS; STANDARD DEVIATION;

QUANTUM THEORY;

EID: 0345117344     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci020050i     Document Type: Article

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