Open AccessNitromethane−Methyl Nitrite Rearrangement: A Persistent Discrepancy between Theory and Experiment
Author(s) -
Minh Tho Nguyen,
Hung Lê,
Balázs Hajgató,
Tamás Veszprémi,
M. C. Lin
Publication year - 2003
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/jp027532h
Subject(s) - chemistry , nitromethane , wave function , bond dissociation energy , computational chemistry , dissociation (chemistry) , density functional theory , asymptote , ab initio , potential energy , transition state , stereochemistry , atomic physics , physics , organic chemistry , geometry , mathematics , catalysis
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