Olivier Parisel, Ph.D.

Affiliations: 
Chemistry Université Pierre et Marie Curie/CNRS 
Area:
Theoretical Chemistry
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"Olivier Parisel"
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Parents

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Gaston Berthier grad student 1992-1995 University of Paris-Sud 11 (Orsay)
 (Du méthylène au coronène : méthodologie de chimie quantique et applications astrophysiques)
Yves Ellinger grad student 1992-1995 University of Paris-Sud 11 (Orsay)
 (Du méthylène au coronène : méthodologie de chimie quantique et applications astrophysiques)
Jacques Weber post-doc 1995-1996 Université de Genève
Roberto Car post-doc 1997 EPFL
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Publications

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Chaudret R, Contreras-Garcia J, Delcey M, et al. (2014) Revisiting H2O Nucleation around Au(+) and Hg(2+): The Peculiar "Pseudo-Soft" Character of the Gold Cation. Journal of Chemical Theory and Computation. 10: 1900-1909
Van Severen MC, Ryde U, Parisel O, et al. (2013) Understanding the Chemistry of Lead at a Molecular Level: The Pb(II) 6s6p Lone Pair Can Be Bisdirected in Proteins. Journal of Chemical Theory and Computation. 9: 2416-24
Meliá C, Ferrer S, ?ezá? J, et al. (2013) Investigation of the hydroxylation mechanism of noncoupled copper oxygenases by ab initio molecular dynamics simulations. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 17328-37
Van Severen MC, Ryde U, Parisel O, et al. (2013) Understanding the chemistry of lead at a molecular level: The Pb(II) 6s6p lone pair can be bisdirected in proteins Journal of Chemical Theory and Computation. 9: 2416-2424
Chaudret R, De Courcy B, Marjolin A, et al. (2012) Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields Aip Conference Proceedings. 1504: 699-702
Van Severen MC, Chaudret R, Parisel O, et al. (2012) Toward a ligand specific of Pb 2+ with respect to the Zn 2+ and Ca 2+ cations: A track from quantum chemistry Chemical Physics Letters. 532: 9-12
Devereux M, van Severen MC, Parisel O, et al. (2011) Role of Cation Polarization in holo- and hemi-Directed [Pb(H2O)n](2+) Complexes and Development of a Pb(2+) Polarizable Force Field. Journal of Chemical Theory and Computation. 7: 138-147
Gourlaouen C, Parisel O, Gérard H. (2011) Revisiting the holo- and hemidirected structural transition within the [Pb(CO)n]2+ model series using first-principles molecular dynamics. Dalton Transactions (Cambridge, England : 2003). 40: 11282-8
Chaudret R, Gresh N, Parisel O, et al. (2011) Many-body exchange-repulsion in polarizable molecular mechanics. I. Orbital-based approximations and applications to hydrated metal cation complexes. Journal of Computational Chemistry. 32: 2949-57
de la Lande A, Salahub DR, Maddaluno J, et al. (2011) Spin-driven activation of dioxygen in various metalloenzymes and their inspired models. Journal of Computational Chemistry. 32: 1178-82
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