People Annuaire

Invited Professors

BONELLA Sara
Physics department, University Rome 1 "La Sapienza"
MIRKIN Michael
Queens College - Department of chemistry and Biochemistry - New York - USA
HALLE Bertil
Université de Lund - Suède
List
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Borgis

2012
Vuilleumier, R, Tay KA, Jeanmairet G, Borgis D, Boutin A.  2012.  Extension of Marcus Picture for Electron Transfer Reactions with Large Solvation Changes. Journal of the American Chemical Society. 134:2067-2074.
2011
Zhao, S, Ramirez R, Vuilleumier R, Borgis D.  2011.  Molecular density functional theory of solvation: From polar solvents to water. The Journal of Chemical Physics. 134(19):194102.
Masella, M, Borgis D, Cuniasse P.  2011.  Combining a polarizable force-field and a coarse-grained polarizable solvent model. II. Accounting for hydrophobic effects. Journal of Computational Chemistry. 32(12):2664-2678.
2009
Gendre, L, Ramirez R, Borgis D.  2009.  Classical density functional theory of solvation in molecular solvents: Angular grid implementation. Chemical Physics Letters. 474(4-6):366-370. Abstract
Turi, L, Hantal G, Rossky PJ, Borgis D.  2009.  Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron. Journal of Chemical Physics. 131(2) Abstract
Ha-Duong, T, Basdevant N, Borgis D.  2009.  A polarizable coarse-grained water model for coarse-grained proteins simulations. Chemical Physics Letters. 468(1-3):79-82. Abstract
Souaille, M, Loirat H, Borgis D, GAIGEOT M.  2009.  MDVRY: a polarizable classical molecular dynamics package for biomolecules☆. Computer Physics Communications. 180(2):276-301.