Molecular acidity of singly and doubly substituted phenols: Predictions from density functional reactivity theory and hammett constants

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 29, Issue 3, 2013, Pages 508-515

  Liu, Liang Hong ^a   Zhang, Peng Fei ^b   Huang, Ying ^a  

^a HUNAN UNIVERSITY OF CHINESE MEDICINE   (China)

^b CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Density functional reactivity theory; Hammett constant; Molecular acidity; Molecular electrostatic potential; Natural atomic orbital; Phenol

Indexed keywords

EID: 84875638713     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: 10.3866/PKU.WHXB201212071     Document Type: Article

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