One- and two-dimensional torsion-inversion models for the fluoral molecule (CF3CHO) in excited electronic states

Structural Chemistry

Volumn 15, Issue 1, 2004, Pages 31-39

  Bataev, Vadim A ^a   Abramenkov, Alexandr V ^a   Godunov, Igor A ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Carbonyl compounds; CASSCF; Excited states; Nonrigid molecules; Potential energy surface

Indexed keywords

CARBONYL DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; ELECTRONICS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; QUANTUM MECHANICS; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 3543094478     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:STUC.0000010466.89247.53     Document Type: Article

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