Open AccessE2 and SN2 Reactions of X− + CH3CH2X (X = F, Cl); an ab Initio and DFT Benchmark Study
Author(s) -
A. Patrícia Bento,
Miquel Solà,
F. Matthias Bickelhaupt
Publication year - 2010
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/ct100103m
Subject(s) - ab initio , benchmark (surveying) , physics , ab initio quantum chemistry methods , atomic physics , chemistry , crystallography , molecule , quantum mechanics , geography , geodesy
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