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CO and NO adsorption on copper-containing zeolite. A theoretical ab initio study

✍ Scribed by N. U. Zhanpeisov; H. Nakatsuji; M. Hada; H. Nakai; M. Anpo

Book ID
112413212
Publisher
Springer US
Year
1996
Tongue
English
Weight
418 KB
Volume
42
Category
Article
ISSN
1011-372X

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πŸ“œ SIMILAR VOLUMES

Theoretical study of the adsorption of i
Theoretical study of the adsorption of isobutane over H-mordenite zeolite by ab initio and DFT methods
✍ L.A Garcı́a-Serrano; C.A Flores-Sandoval; I.P Zaragoza πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 237 KB

Values of relative interaction energy between an isobutane molecule and the surface of the H-mordenite zeolite were obtained. Sixteen tetrahedral sites were taken into account for the surface. Results showed that the adsorption energies were 4 and 8 kJ/mol, for ab initio restricted Hartree-Fock (RHF