검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
Computational study of the factors controlling enantioselectivity in ruthenium(II) hydrogenation catalysts Di Tommaso D, French SA, Zanotti-Gerosa A, Hancock F, Palin EJ, Catlow CRA Inorganic Chemistry, 47(7), 2674, 2008 |
| 2 |
A computational investigation of the different intermediates during organoalkoxysilane hydrolysis French SA, Sokol AA, Catlow CRA, Kornherr A, Nauer GE, Zifferer G Journal of Physical Chemistry B, 110(48), 24311, 2006 |
| 3 |
Adsorption of organosilanes at a Zn-terminated ZnO (0001) surface: Molecular dynamics study Kornherr A, Nauer GE, Sokol AA, French SA, Catlow CRA, Zifferer G Langmuir, 22(19), 8036, 2006 |
| 4 |
Active sites for heterogeneous catalysis by functionalisation of internal and external surfaces French SA, Sokol AA, To J, Catlow CRA, Phala NS, Klatt G, van Steen E Catalysis Today, 93-95, 535, 2004 |
| 5 |
Interaction of adsorbed organosilanes with polar zinc oxide surfaces: a molecular dynamics study comparing two models for the metal oxide surface Kornherr A, French SA, Sokol AA, Catlow CRA, Hansal S, Hansal WEG, Besenhard JO, Kronberger H, Nauer GE, Zifferer G Chemical Physics Letters, 393(1-3), 107, 2004 |
| 6 |
Assignment of the complex vibrational spectra of the hydrogenated ZnO polar surfaces using QM/MM embedding French SA, Sokol AA, Bromley ST, Catlow CRA, Rogers SC, Sherwood P Journal of Chemical Physics, 118(1), 317, 2003 |
| 7 |
Metal cluster support interactions in the Cu/ZnO system: A QM/MM study Bromley ST, French SA, Sokol AA, Catlow CRA, Sherwood P Journal of Physical Chemistry B, 107(29), 7045, 2003 |
| 8 |
Effect of included solvent molecules on the physical properties of the paramagnetic charge transfer salts beta ''-(bedt-ttf)(4)[(H3O)Fe(C2O4)(3)]center dot solvent (bedt-ttf = bis(ethylenedithio)tetrathiafulvalene) Turner SS, Day P, Malik KMA, Hursthouse MB, Teat SJ, MacLean EJ, Martin L, French SA Inorganic Chemistry, 38(15), 3543, 1999 |