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Cataylic model reactions for the HCN isomerization.I.theoretical characterization of some water-catalyzed mechanisms
- Source :
- Journal of Physical Chemistry A. May 15, 2003, Vol. 107 Issue 19, p3925, 10 p.
- Publication Year :
- 2003
-
Abstract
- An ab initio study was done to know the cataylic model reaction for the HCN isomerization catalyzed by one, two, three and four water molecules. Mechanisms considering trihydration and tehrahydration were also characterized where the reaction energies were 0.51 and 0.48 eV.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 107
- Issue :
- 19
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.124246915