검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Theoretical Modeling of Thermal Decomposition of Methylnaphthalene Derivatives: Influence of Substituents Chaudret R, Bick A, Krokidis X Energy & Fuels, 30(8), 6817, 2016 |
| 2 |
S/G-1: An ab Initio Force-Field Blending Frozen Hermite Gaussian Densities and Distributed Multipoles. Proof of Concept and First Applications to Metal Cations Chaudret R, Gresh N, Narth C, Lagardere L, Darden TA, Cisneros GA, Piquemal JP Journal of Physical Chemistry A, 118(35), 7598, 2014 |
| 3 |
Toward a ligand specific of Pb2+ with respect to the Zn2+ and Ca2+ cations: A track from quantum chemistry van Severen MC, Chaudret R, Parisel O, Piquemal JP Chemical Physics Letters, 532, 9, 2012 |
| 4 |
Catalytic Mechanism of 4-Oxalocrotonate Tautomerase: Significances of Protein-Protein Interactions on Proton Transfer Pathways Wu P, Cisneros GA, Hu H, Chaudret R, Hu XQ, Yang WT Journal of Physical Chemistry B, 116(23), 6889, 2012 |