The gas phase acidity of trifluoromethanesulphonic acid. An ab initio MO and density functional theory study

Journal of Molecular Structure

Volumn 471, Issue 1-3, 1998, Pages 105-113

  Otto, André H ^a   Steiger, Thomas ^b   Schrader, Sigurd ^c  

^a Fed Inst of Mat Res and Testing ^*  (Germany)

^b BAM FEDERAL INSTITUTE FOR MATERIALS RESEARCH AND TESTING   (Germany)

^c UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Ab initio calculations; Acidity; Density functional theory; Molecular orbital; Trifluoromethanesulphonic acid

Indexed keywords

FLUOROFORM; MESYLIC ACID; TRIFLUOROMETHANE SULPHONIC ACID; UNCLASSIFIED DRUG;

ACIDITY; ARTICLE; CALCULATION; CATALYSIS; GEOMETRY; PHYSICAL PHASE; PREDICTION; PROTON TRANSPORT; RELIABILITY; THERMODYNAMICS;

EID: 0032506316     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00389-5     Document Type: Article

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