Structure of acetyl chloride molecule isotopomers CH3COCl and CD3COCl in the ground and lowest excited singlet and triplet electronic states: A quantum mechanical study

Russian Chemical Bulletin

Volumn 54, Issue 1, 2005, Pages 62-70

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

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

ab initio quantum chemical calculations; Acetyl chloride; Carbonyl compounds; Excited electronic states; Ground electronic state; Isotopomers; Potential energy surface; Vibrational frequencies

Indexed keywords

EID: 23844530414     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11172-005-0217-4     Document Type: Article

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