A Frontier Molecular Orbital Theory Approach to Understanding the Mayr Equation and to Quantifying Nucleophilicity and Electrophilicity by Using HOMO and LUMO Energies

Asian Journal of Organic Chemistry

Volumn 1, Issue 4, 2012, Pages 336-345

  Zhuo, Lian Gang ^a   Liao, Wei ^a   Yu, Zhi Xiang ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

Density functional calculations; Electrophilicity; FMO theory; Mayr equation; Nucleophilicity

Indexed keywords

EID: 84887694249     PISSN: 21935807     EISSN: 21935807     Source Type: Journal    
DOI: 10.1002/ajoc.201200103     Document Type: Article

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