Ab initio study of the structure and conformations of 2-fluoroethanal in the ground and lowest excited electronic states

Russian Chemical Bulletin

Volumn 50, Issue 6, 2001, Pages 945-951

  Bataev, V A ^a   Abramenkov, A V ^a   Godunov, I A ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Ab initio quantum chemistry calculations; Carbonyl compounds; Geometric parameters; Ground and excited electronic states; Potential energy surface; Potential functions of internal rotation and inversion; Vibration frequencies

Indexed keywords

EID: 0035539744     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1011336328173     Document Type: Article

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