| 1 |
Transport properties of water molecules confined between hydroxyapaptite surfaces: A Molecular dynamics simulation approach
Prakash M, Lemaire T, Di Tommaso D, de Leeuw N, Lewerenz M, Caruel M, Naili S
Applied Surface Science, 418, 296, 2017 |
| 2 |
Density Functional Theory Study of the Oligomerization of Carboxylic Acids
Di Tommaso D, Watson KL
Journal of Physical Chemistry A, 118(46), 11098, 2014 |
| 3 |
Correlating Enantioselectivity with Activation Energies in the Asymmetric Hydrogenation of Acetophenone Catalysed by Noyori-Type Complexes
Chen HYT, Di Tommaso D, Hogarth G, Catlow CRA
Catalysis Letters, 141(12), 1761, 2011 |
| 4 |
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 |
| 5 |
The onset of calcium carbonate nucleation: A density functional theory molecular dynamics and hybrid microsolvation/continumn study
Di Tommaso D, de Leeuw NH
Journal of Physical Chemistry B, 112(23), 6965, 2008 |
| 6 |
Density functional study on the circular dichroism of photoelectron angular distribution from chiral derivatives of oxirane
Stener M, Fronzoni G, Di Tommaso D, Decleva P
Journal of Chemical Physics, 120(7), 3284, 2004 |
| 7 |
New computational and experimental evidence for the mechanism of the Sakurai reaction
Bottoni A, Costa AL, Di Tommaso D, Rossi I, Tagliavini E
Journal of the American Chemical Society, 119(50), 12131, 1997 |
