Olivier Parisel - researchr alias

researchr

You are not signed in
Sign in
Sign up

Viewing Publication 1 - 5 from 5

2011

Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexesRobin Chaudret, Nohad Gresh, Olivier Parisel, Jean-Philip Piquemal. jcc, 32(14):2949-2957, 2011. [doi]

Spin-driven activation of dioxygen in various metalloenzymes and their inspired modelsAurélien de la Lande, Dennis R. Salahub, Jacques Maddaluno, Anthony Scemama, Julien Pilmé, Olivier Parisel, Helene Gerard, Michel Caffarel, Jean-Philip Piquemal. jcc, 32(6):1178-1182, 2011. [doi]

2010

Application of the topological analysis of the electronic localization function to archetypical [Pb(II)L::::::n::::::]:::p::: complexes: The bonding of Pb:::2+::: revisitedMarie-CÃ©line van Severen, Christophe Gourlaouen, Olivier Parisel. jcc, 31(1):185-194, 2010. [doi]

2006

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+)Christophe Gourlaouen, Jean-Philip Piquemal, Trond Saue, Olivier Parisel. jcc, 27(2):142-156, 2006. [doi]

2005

A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contributionJean-Philip Piquemal, Antonio Marquez, Olivier Parisel, Claude Giessner-Prettre. jcc, 26(10):1052-1062, 2005. [doi]

Sign in or sign up to see more results.

runs on WebDSL