SCOPUS 정보 검색 플랫폼

Canadian Journal of Chemistry

Volumn 82, Issue 6, 2004, Pages 891-899

Transition state dynamics and a QM/MM model for the Cl- + C 2H5Cl SN2 reaction

(4) Sun, Lipeng a Chang, Eunkyung b Song, Kihyung b Hase, William L c

a NORTHWESTERN UNIVERSITY (United States)

b Korea National University of Education (South Korea)

c TEXAS TECH UNIVERSITY (United States)

Author keywords

Central barrier dynamics; Direct dynamics classical trajectories; QM MM model; RRKM theory; SN2 reaction dynamics

Indexed keywords

DYNAMICS; HYDROGEN; TRAJECTORIES;

TRANSITION STATE DYNAMICS; VIBRATIONAL FREQUENCIES;

CHLORINE;

CHLORINE; CHLOROETHANE; HYDROGEN;

ARTICLE; CHEMICAL REACTION; DYNAMICS; MOLECULAR MECHANICS; QUANTUM MECHANICS; SIMULATION; VIBRATION;

EID: 9944260758 PISSN: 00084042 EISSN: None Source Type: Journal
DOI: 10.1139/v04-082 Document Type: Article

Times cited : (18)

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