Dissociation of acetone radical cation (CH3COCH3 +• → CH3CO++CH3 •): An ab initio direct classical trajectory study

Physical Chemistry Chemical Physics

Volumn 6, Issue 22, 2004, Pages 5166-5171

  Anand, Smriti ^a   Schlegel, H Bernhard ^a  

^a WAYNE STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CATION; HYDROGEN; METHYL GROUP; OXYGEN DERIVATIVE; RADICAL;

AB INITIO CALCULATION; ARTICLE; DISSOCIATION CONSTANT; ENERGY YIELD; FRAGMENTATION REACTION; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PHASE TRANSITION; POLYMERIZATION; REACTION ANALYSIS; TRANSLATION INITIATION; VIBRATION;

EID: 10344259657     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b411229f     Document Type: Article

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