SCOPUS 정보 검색 플랫폼

Volumn 9, Issue 10, 2003, Pages 2173-2192

Definitive Ab initio studies of model SN2 reactions CH3X + F- (X = F, Cl, CN, OH, SH, NH2, PH2)

(7) Gonzales, Jason M a Pak, Chaeho a Sidney Cox, R a Allen, Wesley D a Schaefer III, Henry F a Császár, Attila G b Tarczay, György b

a UNIVERSITY OF GEORGIA (United States)

b EÖTVÖS LORÁND UNIVERSITY (Hungary)

Author keywords

Ab initio calculations; Energy decomposition; Focal point; Nucleophilic substitution; SAPT

Indexed keywords

ELECTROSTATICS; EXTRAPOLATION; PERTURBATION TECHNIQUES;

STATIONARY POINTS;

COMPLEXATION;

CARBON; CHLORINE; FLUORINE; HALOGEN; HYDROXYL GROUP; ION; METHYL GROUP; NITROGEN; PHOSPHORUS; SULFUR;

AB INITIO CALCULATION; ARTICLE; ATOM; BIMOLECULAR NUCLEOPHILIC SUBSTITUTION REACTION; CHEMICAL REACTION; COMPLEX FORMATION; COVALENT BOND; DECOMPOSITION; ELECTRON; ENERGY; GAS; GAS PERMEABILITY; PREDICTION; REACTION ANALYSIS; SPACE AND SPACE RELATED PHENOMENA;

EID: 0037495997 PISSN: 09476539 EISSN: None Source Type: Journal
DOI: 10.1002/chem.200204408 Document Type: Article

Times cited : (193)

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