TITLE

A molecular dynamics study of the CO[sub 2]/NaCI(001) system

AUTHOR(S)
Vigiani, Alessandro; Cardini, Gianni; Schettino, Vincenzo
PUB. DATE
April 1997
SOURCE
Journal of Chemical Physics;4/1/1997, Vol. 106 Issue 13, p5693
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents a molecular dynamics study of the adsorption of carbon dioxide on sodium chloride. Inclusion of short-range Buckingham atom-atom and charge-charge terms for the molecule-molecule interaction and Lennard-Jones for the molecule-substrate interactions; Discussion of structure of the adlayer as a function of temperature in terms of various distribution functions.
ACCESSION #
4303146

 

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