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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
Phase stability and structure of spinel-based transition aluminas - art. no. 024102
Authors: Wolverton, C Hass, KC
Citation: C. Wolverton et Kc. Hass, Phase stability and structure of spinel-based transition aluminas - art. no. 024102, PHYS REV B, 6302(2), 2001, pp. 4102-NIL_52
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
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
Conformational studies of an N-acylated hindered amine light stabilizer
Authors: DeBellis, AD Hass, KC
Citation: Ad. Debellis et Kc. Hass, Conformational studies of an N-acylated hindered amine light stabilizer, J PHYS CH A, 103(38), 1999, pp. 7665-7671
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
Risultati: 1-12 |