Authors
Citation
F. Delogu et al., MOLECULAR-DYNAMICS STUDIES OF CHEMICAL PROCESSES IN ZEOLITES, Nuovo cimento della Societa italiana di fisica. D, Condensed matter,atomic, molecular and chemical physics, biophysics, 19(11), 1997, pp. 1665-1671
Citations number
23
Categorie Soggetti
Physics
Journal title
ISSN journal
03926737
Volume
19
Issue
11
Year of publication
1997
Pages
1665 - 1671
Database
ISI
SICI code
0392-6737(1997)19:11<1665:MSOCPI>2.0.ZU;2-H
Abstract
The use of classical Molecular Dynamics simulations for the study of c
hemical processes in zeolites is discussed. Some examples including re
cent results on the diffusion of binary mixtures, on the energy relaxa
tion of vibrationally excited molecules and on the recombination of ph
otodissociated I-2 molecule in silicalite are illustrated.