Quantum-chemical study of the structure of the acetyl fluoride molecule in the ground and lowest excited singlet and triplet electronic states

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 8-9, 2004, Pages 1995-2003

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

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

CASSCF; CD 3CFO; CH3CFO; Excited states; Nonrigid molecules

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; CONFORMATIONS; FREQUENCIES; FUNCTIONS; GROUND STATE; MOLECULAR VIBRATIONS; POLYNOMIALS;

CASSCF; CD3CFO; CH3CFO; EXCITED STATES; NONRIGID MOLECULES;

MOLECULAR STRUCTURE;

ACETALDEHYDE; DEUTERIUM; DRUG DERIVATIVE; FLUORINATED HYDROCARBON; FLUOROACETALDEHYDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTROCHEMISTRY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS;

ACETALDEHYDE; DEUTERIUM; ELECTROCHEMISTRY; HYDROCARBONS, FLUORINATED; MOLECULAR STRUCTURE; QUANTUM THEORY; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS;

EID: 3042831098     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2003.10.017     Document Type: Article

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