Ab initio classical trajectory calculations of 1,3-cyclobutanedione radical cation dissociation

Theoretical Chemistry Accounts

Volumn 131, Issue 2, 2012, Pages 1-5

  Zhou, Jia ^a   Schlegel, H Bernhard ^a  

^a WAYNE STATE UNIVERSITY   (United States)

Author keywords

Ab initio MD; Branching ratio; Cyclobutanedione; Radical cation

Indexed keywords

EID: 84862785331     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1126-x     Document Type: Article

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