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Jean-Philip Piquemal: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]
Publications of Author
- Jean-Philip Piquemal, Antonio Marquez, Olivier Parisel, Claude Giessner-Prettre
A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2005, v:26, n:10, pp:1052-1062 [Journal] - Jean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre
Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2003, v:24, n:16, pp:1963-1970 [Journal] - Jean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre
Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2004, v:25, n:2, pp:308- [Journal] - Jens Antony, Jean-Philip Piquemal, Nohad Gresh
Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2005, v:26, n:11, pp:1131-1147 [Journal] - Nohad Gresh, Jean-Philip Piquemal, Morris Krauss
Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2005, v:26, n:11, pp:1113-1130 [Journal] - Christophe Gourlaouen, Jean-Philip Piquemal, Trond Saue, Olivier Parisel
Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (Mp+ = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+). [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2006, v:27, n:2, pp:142-156 [Journal]
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