A Classical molecular dynamics study of recombination reactions in a microporous solid

Delogu, Francesco and Demontis, Pierfranco and Suffritti, Giuseppe Baldovino and Tilocca, Antonio (1998) A Classical molecular dynamics study of recombination reactions in a microporous solid. The Journal of Chemical Physics, Vol. 109 (7), p. 2865-2873. eISSN 1089-7690. Article.

Preview

Full text disponibile come PDF Richiede visualizzatore di PDF come GSview, Xpdf o Adobe Acrobat Reader
179Kb

DOI: 10.1063/1.476840

Abstract

Classical molecular dynamics calculations have been applied to the study of the recombination reaction of photodissociated radical species. Within a simplified reaction scheme it has been possible to get qualitative information about the influence of the environment. A comparison has been made between reactions in a liquid solvent and in a complex structured environment, such as a microporous silicate. Marked differences in the recombination yield and in the energy relaxation mechanism have been observed.

Item Type:	Article
ID Code:	292
Status:	Published
Refereed:	Yes
Uncontrolled Keywords:	Molecular dynamics method, free radicals, free radical reactions, ion recombination
Subjects:	Area 03 - Scienze chimiche > CHIM/02 Chimica fisica
Divisions:	001 Università di Sassari > 01 Dipartimenti > Chimica
Publisher:	American Institute of Physics
eISSN:	1089-7690
Publisher Policy:	Depositato in conformità con la politica di copyright dell'Editore
Deposited On:	18 Aug 2009 10:01

I documenti depositati in UnissResearch sono protetti dalle leggi che regolano il diritto d'autore

Repository Staff Only: item control page