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ORCIDOlivier Parisel
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2010 – 2019
- 2011
[j5]Aurélien de la Lande, Dennis R. Salahub, Jacques Maddaluno
, Anthony Scemama, Julien Pilmé, Olivier Parisel, Helene Gerard, Michel Caffarel, Jean-Philip Piquemal:
Spin-driven activation of dioxygen in various metalloenzymes and their inspired models. J. Comput. Chem. 32(6): 1178-1182 (2011)- [j4]Robin Chaudret, Nohad Gresh, Olivier Parisel, Jean-Philip Piquemal:
Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes. J. Comput. Chem. 32(14): 2949-2957 (2011) - 2010
- [j3]Marie-Céline van Severen, Christophe Gourlaouen, Olivier Parisel:
Application of the topological analysis of the electronic localization function to archetypical [Pb(II)Ln]p complexes: The bonding of Pb2+ revisited. J. Comput. Chem. 31(1): 185-194 (2010)
2000 – 2009
- 2006
- [j2]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+). J. Comput. Chem. 27(2): 142-156 (2006) - 2005
- [j1]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. J. Comput. Chem. 26(10): 1052-1062 (2005)
Coauthor Index
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