| 1 |
Melting of the Au-20 Gold Cluster: Does Charge Matter?
Rapacioli M, Tarrat N, Spiegelman F
Journal of Physical Chemistry A, 122(16), 4092, 2018 |
| 2 |
Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to Bulk
Oliveira LFL, Tarrat N, Cuny J, Morillo J, Lemoine D, Spiegelman F, Rapacioli M
Journal of Physical Chemistry A, 120(42), 8469, 2016 |
| 3 |
Examining the performance of DFT methods in uranium chemistry: Does core size matter for a pseudopotential?
Iche-Tarrat N, Marsden CJ
Journal of Physical Chemistry A, 112(33), 7632, 2008 |
| 4 |
Theoretical study of specific hydrogen-bonding effects on the bridging P-OR bond strength of phosphate monoester dianions
Iche-Tarrat N, Barthelat JC, Vigroux A
Journal of Physical Chemistry B, 112(10), 3217, 2008 |
| 5 |
Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqueous solution: Examination of the changes induced by H/Me substitution
Iche-Tarrat N, Barthelat JC, Rinaldi D, Vigroux A
Journal of Physical Chemistry B, 109(47), 22570, 2005 |
