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A quantum-mechanical test for a LiHCl semi-empirical surface

✍ Scribed by L. Ciccarelli; E. Garcia; A. Laganà

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
450 KB
Volume
120
Category
Article
ISSN
0009-2614

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✦ Synopsis

A study or ihe Li-kCIH colEnear reaction has been carried OUL on a semi-empirical surrace in order to assess the suiiability ol this polentiai energy surface for further quantum-mechanical calculskions and Lo investiga;lle the reactive dynamics OF an nsymmewic exchange of a heavy atom.

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