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Journal of Molecular Modeling

Volumn 17, Issue 3, 2011, Pages 565-572

Natural bond orbital approach to the transmission of substituent effect through the fulvene and benzene ring systems

(2) Oziminski, Wojciech P a,b Krygowski, Tadeusz M c

a NATIONAL MEDICINES INSTITUTE (Poland)

b INSTITUTE OF NUCLEAR CHEMISTRY AND TECHNOLOGY (Poland)

c UNIVERSITY OF WARSAW (Poland)

Author keywords

DFT; Fulvene; NBO; pEDA; Substituent effect

Indexed keywords

BENZENE; IROFULVEN;

ARTICLE; ATOMIC PARTICLE; CONTROLLED STUDY; ELECTRON; NUCLEAR PHYSICS; PI ELECTRON DONOR ACCEPTOR; PRIORITY JOURNAL;

BENZENE; CYCLOPENTANES; ISOMERISM; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 79954434631 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-010-0753-1 Document Type: Article

Times cited : (16)

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