Insight into Markovnikov regioselectivity rule via molecular face and ABEEM-σπ theory

International Journal of Quantum Chemistry

Volumn 111, Issue 12, 2011, Pages 2778-2787

  Ding, Yan Li ^a   Mu, Ji Rong ^a   Wang, Chun Hui ^a   Yang, Zhong Zhi ^b  

^a SHENYANG UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b LIAONING NORMAL UNIVERSITY   (China)

Author keywords

ab initio method; ABEEM ; electrophilic additions; model; molecular face (MF); regioselectivity

Indexed keywords

AB INITIO METHOD; DFT THEORY; ELECTRON DENSITIES; ELECTROPHILIC ADDITIONS; GASPHASE; HAMMETT CONSTANTS; INITIAL STATE; LINEAR CORRELATION; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR FACE (MF); SUBSTITUENT CONSTANTS;

OLEFINS;

REGIOSELECTIVITY;

EID: 79957607012     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22619     Document Type: Article

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