검색결과 : 79건
| No. | Article |
|---|---|
| 1 |
Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H-2 + Cu(111) and H-2 + Ag(111) Smeets EWF, Voss J, Kroes GJ Journal of Physical Chemistry A, 123(25), 5395, 2019 |
| 2 |
Chemically accurate simulation of dissociative chemisorption of D-2 on Pt (111) Ghassemi EN, Wijzenbroek M, Somers MF, Kroes GJ Chemical Physics Letters, 683, 329, 2017 |
| 3 |
Performance of a Non-Local van der Waals Density Functional on the Dissociation of H-2 on Metal Surfaces Wijzenbroek M, Klein DM, Smits B, Somers MF, Kroes GJ Journal of Physical Chemistry A, 119(50), 12146, 2015 |
| 4 |
Associative desorption of N-2 from Ru(0001): A computational study Diaz C, Perrier A, Kroes GJ Chemical Physics Letters, 434(4-6), 231, 2007 |
| 5 |
Using n-mode potentials for reactive scattering: Application to the 6D H-2+Pt(111) problem Kroes GJ, Meyer HD Chemical Physics Letters, 440(4-6), 334, 2007 |
| 6 |
Electrolysis of water on oxide surfaces Rossmeisl J, Qu ZW, Zhu H, Kroes GJ, Norskov JK Journal of Electroanalytical Chemistry, 607(1-2), 83, 2007 |
| 7 |
Identifying spectator bonds in modeling reactions: OH+CO -> H+CO2 Valero R, Kroes GJ Chemical Physics Letters, 417(1-3), 43, 2006 |
| 8 |
The H-D isotope effect in the stability of lithium alanate Frankcombe TJ, Kroes GJ Chemical Physics Letters, 423(1-3), 102, 2006 |
| 9 |
A density functional theory study of Ti-doped NaAlH4 clusters Marashdeh A, Olsen RA, Lovvik OM, Kroes GJ Chemical Physics Letters, 426(1-3), 180, 2006 |
| 10 |
Theoretical study of the electronic structure and stability of titanium dioxide clusters (TiO2)(n) with n=1-9 Qu ZW, Kroes GJ Journal of Physical Chemistry B, 110(18), 8998, 2006 |