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Results: 1-12 |
Results: 12
Effect of particle size on the adsorption of O and S atoms on Pt: A density-functional theory study
Authors: Lin, X Ramer, NJ Rappe, AM Hass, KC Schneider, WF Trout, BL
Citation: X. Lin et al., Effect of particle size on the adsorption of O and S atoms on Pt: A density-functional theory study, J PHYS CH B, 105(32), 2001, pp. 7739-7747
Combined computational and experimental investigation of SOx adsorption onMgO
Authors: Schneider, WF Li, J Hass, KC
Citation: Wf. Schneider et al., Combined computational and experimental investigation of SOx adsorption onMgO, J PHYS CH B, 105(29), 2001, pp. 6972-6979
Theoretical analysis of N2O to N-2 conversion during the catalytic decomposition of NO by Cu-zeolites
Authors: Sengupta, D Adams, JB Schneider, WF Hass, KC
Citation: D. Sengupta et al., Theoretical analysis of N2O to N-2 conversion during the catalytic decomposition of NO by Cu-zeolites, CATAL LETT, 74(3-4), 2001, pp. 193-199
First-principles molecular dynamics simulations of H2O on alpha-Al2O3 (0001)
Authors: Hass, KC Schneider, WF Curioni, A Andreoni, W
Citation: Kc. Hass et al., First-principles molecular dynamics simulations of H2O on alpha-Al2O3 (0001), J PHYS CH B, 104(23), 2000, pp. 5527-5540
Statistical analysis of Al distributions and metal ion pairing probabilities in zeolites
Authors: Goodman, BR Hass, KC Schneider, WF Adams, JB
Citation: Br. Goodman et al., Statistical analysis of Al distributions and metal ion pairing probabilities in zeolites, CATAL LETT, 68(1-2), 2000, pp. 85-93
Stability and infrared spectra of mono-, di-, and trichloromethanol
Authors: Wallington, TJ Schneider, WF Barnes, I Becker, KH Sehested, J Nielsen, OJ
Citation: Tj. Wallington et al., Stability and infrared spectra of mono-, di-, and trichloromethanol, CHEM P LETT, 322(1-2), 2000, pp. 97-102
Cluster model studies of oxygen-bridged Cu pairs in Cu-ZSM-5 catalysts
Authors: Goodman, BR Hass, KC Schneider, WF Adams, JB
Citation: Br. Goodman et al., Cluster model studies of oxygen-bridged Cu pairs in Cu-ZSM-5 catalysts, J PHYS CH B, 103(47), 1999, pp. 10452-10460
Comparison of explicit and united atom models for alkane chains physisorbed on alpha-Al2O3 (0001)
Authors: Bolton, K Bosio, SBM Hase, WL Schneider, WF Hass, KC
Citation: K. Bolton et al., Comparison of explicit and united atom models for alkane chains physisorbed on alpha-Al2O3 (0001), J PHYS CH B, 103(19), 1999, pp. 3885-3895
Density functional studies of adsorbates in Cu-exchanged zeolites: model comparisons and SOx binding
Authors: Hass, KC Schneider, WF
Citation: Kc. Hass et Wf. Schneider, Density functional studies of adsorbates in Cu-exchanged zeolites: model comparisons and SOx binding, PCCP PHYS C, 1(4), 1999, pp. 639-648
CO oxidation catalyzed by Cu-exchanged zeolites: a density functional theory study
Authors: Sengupta, D Schneider, WF Hass, KC Adams, JB
Citation: D. Sengupta et al., CO oxidation catalyzed by Cu-exchanged zeolites: a density functional theory study, CATAL LETT, 61(3-4), 1999, pp. 179-186
Theoretical analysis of oxygen-bridged Cu pairs in Cu-exchanged zeolites
Authors: Goodman, BR Schneider, WF Hass, KC Adams, JB
Citation: Br. Goodman et al., Theoretical analysis of oxygen-bridged Cu pairs in Cu-exchanged zeolites, CATAL LETT, 56(4), 1998, pp. 183-188
CF3CFHO radical: Decomposition vs. reaction with O-2
Authors: Schneider, WF Wallington, TJ Barker, JR Stahlberg, EA
Citation: Wf. Schneider et al., CF3CFHO radical: Decomposition vs. reaction with O-2, BER BUN GES, 102(12), 1998, pp. 1850-1856
Risultati: 1-12 |