A quantum-mechanical test for a LiHCl semi-empirical surface
1985; Elsevier BV; Volume: 120; Issue: 1 Linguagem: Inglês
10.1016/0009-2614(85)87016-0
ISSN1873-4448
AutoresL. Ciccarelli, E. Garcı́a, Antonio Laganà,
Tópico(s)Nuclear physics research studies
ResumoAbstract A study of the Li+CIH collinear reaction has been carried out on a semi-empirical surface in order to assess the suitability of this potential energy surface for further quantum-mechanical calculations and to investigate the reactive dynamics of an asymmetric exchange of a heavy atom.
Referência(s)