Features of the fluorine-substituted acetaldehydes dynamics in the low-lying electronic states: Quantum mechanical study of the CHF2CHO molecule lowest excited singlet state

International Journal of Quantum Chemistry

Volumn 88, Issue 4, 2002, Pages 414-425

  Bataev, Vadim A ^a   Dolgov, Eugeniy K ^a   Abramenkov, Alexandr V ^a   Pupyshev, Vladimir I ^a   Godunov, Igor A ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

2,2 difluoroethanal; ab initio calculation; Carbonyl compounds; Excited states; Potential energy surface

Indexed keywords

ALDEHYDES; APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; HARMONIC GENERATION; LATTICE VIBRATIONS; MOLECULAR DYNAMICS; NATURAL FREQUENCIES; POTENTIAL ENERGY; VARIATIONAL TECHNIQUES;

NUCLEAR MOTIONS; POTENTIAL ENERGY SURFACES (PES);

QUANTUM THEORY;

EID: 0037097229     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10179     Document Type: Conference Paper

References (18)