Trajectory studies of SN2 nucleophilic substitution. IX. Microscopic reaction pathways and kinetics for Cl-+CH3Br

Journal of Chemical Physics

Volumn 118, Issue 6, 2003, Pages 2688-2695

  Wang, Yanfei ^a   Hase, William L ^a   Wang, Haobin ^b  

^a WAYNE STATE UNIVERSITY   (United States)

^b NEW MEXICO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; STATISTICAL MECHANICS; SUBSTITUTION REACTIONS;

ATOMIC LEVEL DYNAMICS; NUCLEOPHILIC; POTENTIAL ENERGY SURFACE; TRAJECTORY SIMULATION;

RATE CONSTANTS;

EID: 0037425882     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1535890     Document Type: Article

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