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The chemical bond and the entropy of the electron density distribution in molecules I. H2+and H2

โœ Scribed by D. A. Bochvar; R. M. Borodzich; A. V. Tutkevich


Publisher
SP MAIK Nauka/Interperiodica
Year
1969
Tongue
English
Weight
177 KB
Volume
10
Category
Article
ISSN
0022-4766

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The simplest prototypical hydrogen transfer reaction, i.e., H + H, + H, + H, is studied by the quantum-mechanical ab initio methods. Results reveal that during this reaction free valence which almost equals the square of the spin density develops on the migrating hydrogen atom. Bond orders are calcu