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Quasi-classical versus quantum calculations for the collinear Li + FH reaction

✍ Scribed by A. Laganà; M.L. Hernandez; J.M. Alvariño

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
864 KB
Volume
106
Category
Article
ISSN
0009-2614

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✦ Synopsis

The role played by tunnelling, resonance and interference effects in determining the reactivity of the Li + FH reaction has been investigated using a surface moulded on ab initio values of the electronic energy. By comparing collinear and three-dimensional results, the accuracy of the surface is considered.

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