SCOPUS 정보 검색 플랫폼

Volumn 33, Issue 15, 2012, Pages 1347-1352

Assessment of ab initio MP2 and density functionals for characterizing the potential energy profiles of the S N2 reactions at N center

(1) Yu, Feng a

a XI'AN TECHNOLOGICAL UNIVERSITY (China)

Author keywords

CCSD(T); density functional theory; mean unsigned error; MP2; S N2 reaction at N center

Indexed keywords

AB INITIO MP2; BASIS SETS; CCSD; CLASSICAL TRAJECTORIES; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL METHODS; DYNAMIC BEHAVIORS; MP2; NUCLEOPHILIC SUBSTITUTIONS; POTENTIAL ENERGY PROFILES; RELATIVE ENERGIES; S N2 REACTION AT N CENTER;

CALCULATIONS; DENSITY FUNCTIONAL THEORY;

POTENTIAL ENERGY;

EID: 84860382006 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.22963 Document Type: Article

Times cited : (15)

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