✦ LIBER ✦

Scaling in the bond-energy-bond-order method: multivalent atom transfer reactions

✍ Scribed by I.K. Dmitrieva; V.A. Zenevich; G.I. Plindov

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 372 KB
Volume: 123
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80059-8

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✦ Synopsis

Simple scaling allows the relations for a reaction path and a potential energy profile to be constructed for multivalent transfer reactions in the same mathematical form as in the Johnston-Parr BEBO method. Good agreement of calculated and experimental activation energies is observed for a number of exchange reactions of atoms with diatomics where multiple bonds are broken and formed. The mathematical equivalence makes it possible to extend earlier results for univalent atom transfers to these reactions.

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