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An application of the nonrigid molecule group theory to a problem of chemical reactivity
Author(s) -
Ellinger Y.,
Serre J.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070727
Subject(s) - molecule , group (periodic table) , dimer , chemistry , character table , computational chemistry , character (mathematics) , hydride , reactivity (psychology) , nitroxide mediated radical polymerization , symmetry (geometry) , chemical physics , concerted reaction , monomer , organic chemistry , mathematics , polymer , geometry , medicine , alternative medicine , pathology , radical polymerization , catalysis , hydrogen
The nonrigid molecule group theory is applied to the simplest case of thermal nitroxide formation. The two molecules of nitrosyl hydride are considered as freely rotating one with respect to the other during the formation of the reaction intermediate. The character table of the molecular symmetry group G for this dimer is established and it is shown that there is no more difficulty for the analysis of the concerted mechanism.