The O-H bond dissociation energies of substituted phenols and protonaffinities of substituted phenoxide ions: A DFT study

International Journal of Molecular Sciences

Volumn 3, Issue 4, 2002, Pages 407-422

  Chandra, Asit K ^a   Uchimaru, Tadafumi ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Acidity; Bond Dissociation Energy; DFT; Substituted Phenol

Indexed keywords

HYDROGEN; OXYGEN; PHENOL DERIVATIVE;

ACIDITY; ARTICLE; CHEMICAL BOND; CORRELATION COEFFICIENT; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY TRANSFER; ENTHALPY;

EID: 0000419023     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i3040407     Document Type: Article

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