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Comments on energy minimization in subspaces of coordinates and on “chemical hysteresis”

✍ Scribed by I. Bálint; M. I. Bán

Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
283 KB
Volume
24
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Using partial minimization of the potential energy function, the determination of the points of the reaction path does not often lead to unambiguous results. The reason is that the subspace of the coordinates where the minimization takes place cannot be arbitrarily chosen.

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