Direct ab initio molecular dynamics study on a SN2 reaction OH- + CH3Cl → CH3OH + Cl-: Effect of non-zero impact parameter on the reaction dynamics

Chemical Physics

Volumn 324, Issue 2-3, 2006, Pages 639-646

  Tachikawa, Hiroto ^a   Igarashi, Manabu ^b  

^a HOKKAIDO UNIVERSITY   (Japan)

^b HOKKAIDO UNIVERSITY GRADUATE SCHOOL OF MEDICINE   (Japan)

Author keywords

Ab initio MD; Collision process; Reaction dynamics; SN2 reaction

Indexed keywords

EID: 33646794962     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.12.002     Document Type: Article

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