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On proper dissociation configurations of a molecule
Author(s) -
Krishna M. V. Rama
Publication year - 1990
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540110511
Subject(s) - diatomic molecule , dissociation (chemistry) , molecule , chemistry , computational chemistry , atomic physics , physics , organic chemistry
An analytical procedure is presented for the determination of the proper dissociation configurations of a molecule. We illustrate this procedure by determining the proper dissociation configurations of many electronic states of the first‐row diatomic molecules and ozone. Finally, a few simple guidelines are provided to help in the identification of the important configurations needed for proper dissociation of a molecule.
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