| 1 |
Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation
Borgis D, Luukkonen S, Belloni L, Jeanmairet G
Journal of Physical Chemistry B, 124(31), 6885, 2020 |
| 2 |
Molecular Density Functional Theory: Application to Solvation and Electron-Transfer Thermodynamics in Polar Solvents
Borgis D, Gendre L, Ramirez R
Journal of Physical Chemistry B, 116(8), 2504, 2012 |
| 3 |
Extension of Marcus Picture for Electron Transfer Reactions with Large Solvation Changes
Vuilleumier R, Tay KA, Jeanmairet G, Borgis D, Boutin A
Journal of the American Chemical Society, 134(4), 2067, 2012 |
| 4 |
A polarizable coarse-grained water model for coarse-grained proteins simulations
Ha-Duong T, Basdevant N, Borgis D
Chemical Physics Letters, 468(1-3), 79, 2009 |
| 5 |
Classical density functional theory of solvation in molecular solvents: Angular grid implementation
Gendre L, Ramirez R, Borgis D
Chemical Physics Letters, 474(4-6), 366, 2009 |
| 6 |
A coarse-grained protein-protein potential derived from an all-atom force field
Basdevant N, Borgis D, Ha-Duong T
Journal of Physical Chemistry B, 111(31), 9390, 2007 |
| 7 |
Generating approximate Wigner distributions using Gaussian phase packets propagation in imaginary time
Marinica DC, Gaigeot MP, Borgis D
Chemical Physics Letters, 423(4-6), 390, 2006 |
| 8 |
Ab initio molecular dynamics of protonated dialanine and comparison to infrared multiphoton dissociation experiments
Marinica DC, Gregoire G, Desfrancois C, Schermann JP, Borgis D, Gaigeot MP
Journal of Physical Chemistry A, 110(28), 8802, 2006 |
| 9 |
Density functional theory of solvation and its relation to implicit solvent models
Ramirez R, Borgis D
Journal of Physical Chemistry B, 109(14), 6754, 2005 |
| 10 |
Molecular simulation of a hydrated electron at different thermodynamic state points
Nicolas C, Boutin A, Levy B, Borgis D
Journal of Chemical Physics, 118(21), 9689, 2003 |
