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Results: 1-9 |
Results: 9
DENSITY-FUNCTIONAL THEORY STUDY OF TRANSFORMATIONS OF NITROGEN-OXIDESCATALYZED BY CU-EXCHANGED ZEOLITES
Authors: SCHNEIDER WF HASS KC RAMPRASAD R ADAMS JB
Citation: Wf. Schneider et al., DENSITY-FUNCTIONAL THEORY STUDY OF TRANSFORMATIONS OF NITROGEN-OXIDESCATALYZED BY CU-EXCHANGED ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 102(19), 1998, pp. 3692-3705
DFT-LDA STUDY OF NO ADSORPTION ON RH(110) SURFACE
Authors: LIAO D GLASSFORD KM RAMPRASAD R ADAMS JB
Citation: D. Liao et al., DFT-LDA STUDY OF NO ADSORPTION ON RH(110) SURFACE, Surface science, 415(1-2), 1998, pp. 11-19
CU-DINITROSYL SPECIES IN ZEOLITES - A DENSITY-FUNCTIONAL MOLECULAR CLUSTER STUDY
Authors: RAMPRASAD R HASS KC SCHNEIDER WF ADAMS JB
Citation: R. Ramprasad et al., CU-DINITROSYL SPECIES IN ZEOLITES - A DENSITY-FUNCTIONAL MOLECULAR CLUSTER STUDY, JOURNAL OF PHYSICAL CHEMISTRY B, 101(35), 1997, pp. 6903-6913
FIRST-PRINCIPLES ANALYSIS OF ELEMENTARY STEPS IN THE CATALYTIC DECOMPOSITION OF NO BY CU-EXCHANGED ZEOLITES
Authors: SCHNEIDER WF HASS KC RAMPRASAD R ADAMS JB
Citation: Wf. Schneider et al., FIRST-PRINCIPLES ANALYSIS OF ELEMENTARY STEPS IN THE CATALYTIC DECOMPOSITION OF NO BY CU-EXCHANGED ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(22), 1997, pp. 4353-4357
THEORETICAL-STUDY OF CO AND NO VIBRATIONAL FREQUENCIES IN CU-WATER CLUSTERS AND IMPLICATIONS FOR CU-EXCHANGED ZEOLITES
Authors: RAMPRASAD R SCHNEIDER WF HASS KC ADAMS JB
Citation: R. Ramprasad et al., THEORETICAL-STUDY OF CO AND NO VIBRATIONAL FREQUENCIES IN CU-WATER CLUSTERS AND IMPLICATIONS FOR CU-EXCHANGED ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(11), 1997, pp. 1940-1949
CO ON PD(110) - DETERMINATION OF THE OPTIMAL ADSORPTION SITE
Authors: RAMPRASAD R GLASSFORD KM ADAMS JB MASEL RI
Citation: R. Ramprasad et al., CO ON PD(110) - DETERMINATION OF THE OPTIMAL ADSORPTION SITE, Surface science, 360(1-3), 1996, pp. 31-42
CLUSTER-MODELS OF CU BINDING AND CO AND NO ADSORPTION IN CU-EXCHANGEDZEOLITES
Authors: SCHNEIDER WF HASS KC RAMPRASAD R ADAMS JB
Citation: Wf. Schneider et al., CLUSTER-MODELS OF CU BINDING AND CO AND NO ADSORPTION IN CU-EXCHANGEDZEOLITES, Journal of physical chemistry, 100(15), 1996, pp. 6032-6046
ATOMIC-LEVEL COMPUTER-SIMULATION
Authors: ADAMS JB ROCKETT A KIEFFER J XU W NOMURA M KILIAN KA RICHARDS DF RAMPRASAD R
Citation: Jb. Adams et al., ATOMIC-LEVEL COMPUTER-SIMULATION, Journal of nuclear materials, 216, 1994, pp. 265-274
THERMODYNAMIC PROPERTIES OF SMALL ZINC CLUSTERS BASED ON ATOMISTIC SIMULATIONS
Authors: RAMPRASAD R HOAGLAND RG
Citation: R. Ramprasad et Rg. Hoagland, THERMODYNAMIC PROPERTIES OF SMALL ZINC CLUSTERS BASED ON ATOMISTIC SIMULATIONS, Modelling and simulation in materials science and engineering, 1(2), 1993, pp. 189-201
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