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Results: 1-12 |
Results: 12
Theoretical study of the dehydration process of boehmite to gamma-alumina
Authors: Krokidis, X Raybaud, P Gobichon, AE Rebours, B Euzen, P Toulhoat, H
Citation: X. Krokidis et al., Theoretical study of the dehydration process of boehmite to gamma-alumina, J PHYS CH B, 105(22), 2001, pp. 5121-5130
Ab initio investigation of the adsorption of benzene in mordenite
Authors: Demuth, T Benco, L Hafner, J Toulhoat, H Hutschka, F
Citation: T. Demuth et al., Ab initio investigation of the adsorption of benzene in mordenite, J CHEM PHYS, 114(8), 2001, pp. 3703-3712
Adsorption of linear hydrocarbons in zeolites: A density-functional investigation
Authors: Benco, L Demuth, T Hafner, J Hutschka, F Toulhoat, H
Citation: L. Benco et al., Adsorption of linear hydrocarbons in zeolites: A density-functional investigation, J CHEM PHYS, 114(14), 2001, pp. 6327-6334
Morphology and surface properties of boehmite (gamma-AlOOH): A density functional theory study
Authors: Raybaud, P Digne, M Iftimie, R Wellens, W Euzen, P Toulhoat, H
Citation: P. Raybaud et al., Morphology and surface properties of boehmite (gamma-AlOOH): A density functional theory study, J CATALYSIS, 201(2), 2001, pp. 236-246
The origin of the C-7-hydroconversion selectivities on Y, beta, ZSM-22, ZSM-23, and EU-1 zeolites
Authors: Raybaud, P Patrigeon, A Toulhoat, H
Citation: P. Raybaud et al., The origin of the C-7-hydroconversion selectivities on Y, beta, ZSM-22, ZSM-23, and EU-1 zeolites, J CATALYSIS, 197(1), 2001, pp. 98-112
Adsorption of water in mordenite - An ab initio study
Authors: Demuth, TH Benco, L Hafner, J Toulhoat, H
Citation: Th. Demuth et al., Adsorption of water in mordenite - An ab initio study, INT J QUANT, 84(1), 2001, pp. 110-116
Structural and acidic properties of mordenite. An ab initio density-functional study
Authors: Demuth, T Hafner, J Benco, L Toulhoat, H
Citation: T. Demuth et al., Structural and acidic properties of mordenite. An ab initio density-functional study, J PHYS CH B, 104(19), 2000, pp. 4593-4607
Structure, energetics, and electronic properties of the surface of a promoted MoS2 catalyst: An ab initio local density functional study
Authors: Raybaud, P Hafner, J Kresse, G Kasztelan, S Toulhoat, H
Citation: P. Raybaud et al., Structure, energetics, and electronic properties of the surface of a promoted MoS2 catalyst: An ab initio local density functional study, J CATALYSIS, 190(1), 2000, pp. 128-143
Ab initio study of the H-2-H2S/MoS2 gas-solid interface: The nature of thecatalytically active sites
Authors: Raybaud, P Hafner, J Kresse, G Kasztelan, S Toulhoat, H
Citation: P. Raybaud et al., Ab initio study of the H-2-H2S/MoS2 gas-solid interface: The nature of thecatalytically active sites, J CATALYSIS, 189(1), 2000, pp. 129-146
Transition metals to sulfur binding energies relationship to catalytic activities in HDS: back to Sabatier with first principle calculations
Authors: Toulhoat, H Raybaud, P Kasztelan, S Kresse, G Hafner, J
Citation: H. Toulhoat et al., Transition metals to sulfur binding energies relationship to catalytic activities in HDS: back to Sabatier with first principle calculations, CATAL TODAY, 50(3-4), 1999, pp. 629-636
Hydrogen, sulphur and chlorine coadsorption on Pd(111): a theoretical study of poisoning and promotion
Authors: Gravil, PA Toulhoat, H
Citation: Pa. Gravil et H. Toulhoat, Hydrogen, sulphur and chlorine coadsorption on Pd(111): a theoretical study of poisoning and promotion, SURF SCI, 430(1-3), 1999, pp. 176-191
Ethylene, sulphur, and chlorine coadsorption on Pd(111): a theoretical study of poisoning and promotion
Authors: Gravil, PA Toulhoat, H
Citation: Pa. Gravil et H. Toulhoat, Ethylene, sulphur, and chlorine coadsorption on Pd(111): a theoretical study of poisoning and promotion, SURF SCI, 430(1-3), 1999, pp. 192-198
Risultati: 1-12 |