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Results: 1-15 |
Results: 15
Special issue - Advanced simulation of materials and catalysts - Preface
Authors: Witko, M Knops-Gerrits, PP Millini, R Goddard, WA
Citation: M. Witko et al., Special issue - Advanced simulation of materials and catalysts - Preface, J MOL CAT A, 166(1), 2001, pp. 1-2
Electronic structure of vanadyl pyrophosphate: cluster model studies
Authors: Witko, M Tokarz, R Haber, J Hermann, K
Citation: M. Witko et al., Electronic structure of vanadyl pyrophosphate: cluster model studies, J MOL CAT A, 166(1), 2001, pp. 59-72
Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide
Authors: Hermann, K Witko, M Druzinic, R Tokarz, R
Citation: K. Hermann et al., Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide, APPL PHYS A, 72(4), 2001, pp. 429-442
Electronic properties of the VO2(011) surface: density functional cluster calculations
Authors: Haras, A Witko, M Salahub, DR Hermann, K Tokarz, R
Citation: A. Haras et al., Electronic properties of the VO2(011) surface: density functional cluster calculations, SURF SCI, 491(1-2), 2001, pp. 77-87
Electronic structure of vanadium dioxide: Ab initio density functional theory studies of periodic and local systems
Authors: Hermann, K Chakrabarti, A Haras, A Witko, M Tepper, B
Citation: K. Hermann et al., Electronic structure of vanadium dioxide: Ab initio density functional theory studies of periodic and local systems, PHYS ST S-A, 187(1), 2001, pp. 137-149
Biographical notes on Professor Jerzy Haber
Authors: Witko, M
Citation: M. Witko, Biographical notes on Professor Jerzy Haber, TOP CATAL, 11(1-4), 2000, pp. 3-22
Hydrogen assisted oxygen desorption from the V2O5(010) surface
Authors: Hermann, K Witko, M Druzinic, R Tokarz, R
Citation: K. Hermann et al., Hydrogen assisted oxygen desorption from the V2O5(010) surface, TOP CATAL, 11(1-4), 2000, pp. 67-75
Electronic properties, structure and adsorption at vanadium oxide: densityfunctional theory studies
Authors: Hermann, K Witko, M Druzinic, R
Citation: K. Hermann et al., Electronic properties, structure and adsorption at vanadium oxide: densityfunctional theory studies, FARADAY DIS, (114), 1999, pp. 53-66
Different adsorbate binding mechanisms of hydrocarbons: Theoretical studies for Cu(111)-C2H2 and Cu(111)-C2H4 (vol 172, pg 85, 1998)
Authors: Witko, M Hermann, K
Citation: M. Witko et K. Hermann, Different adsorbate binding mechanisms of hydrocarbons: Theoretical studies for Cu(111)-C2H2 and Cu(111)-C2H4 (vol 172, pg 85, 1998), APP CATAL A, 183(1), 1999, pp. 221-223
Adsorption and reactions at the (0 1 0) V2O5 surface: cluster model studies
Authors: Witko, M Hermann, K Tokarz, R
Citation: M. Witko et al., Adsorption and reactions at the (0 1 0) V2O5 surface: cluster model studies, CATAL TODAY, 50(3-4), 1999, pp. 553-565
Density functional studies of the electronic structure and adsorption at molybdenum oxide surfaces
Authors: Hermann, K Witko, M Michalak, A
Citation: K. Hermann et al., Density functional studies of the electronic structure and adsorption at molybdenum oxide surfaces, CATAL TODAY, 50(3-4), 1999, pp. 567-577
Properties and identification of oxygen sites at the V2O5(010) surface: theoretical cluster studies and photoemission experiments
Authors: Hermann, K Witko, M Druzinic, R Chakrabarti, A Tepper, B Elsner, M Gorschluter, A Kuhlenbeck, H Freund, HJ
Citation: K. Hermann et al., Properties and identification of oxygen sites at the V2O5(010) surface: theoretical cluster studies and photoemission experiments, J ELEC SPEC, 99, 1999, pp. 245-256
Binding schemes of adsorbates at metal surfaces: theoretical cluster studies
Authors: Hermann, K Witko, M
Citation: K. Hermann et M. Witko, Binding schemes of adsorbates at metal surfaces: theoretical cluster studies, THEOCHEM, 458(1-2), 1999, pp. 81-92
Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study
Authors: Chakrabarti, A Hermann, K Druzinic, R Witko, M Wagner, F Petersen, M
Citation: A. Chakrabarti et al., Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study, PHYS REV B, 59(16), 1999, pp. 10583-10590
Ab initio density functional theory studies of hydrogen adsorption at the V2O5(010) surface
Authors: Hermann, K Chakrabarti, A Druzinic, R Witko, M
Citation: K. Hermann et al., Ab initio density functional theory studies of hydrogen adsorption at the V2O5(010) surface, PHYS ST S-A, 173(1), 1999, pp. 195-208
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