| Molecular‐dynamics simulation for a model nonadiabatic proton transfer reaction in solution D Borgis, JT Hynes The Journal of chemical physics 94 (5), 3619-3628, 1991 | 418 | 1991 |
| Classical and quantum dynamics in condensed phase simulations: Proceedings of the International School of Physics BJ Berne, G Ciccotti, DF Coker World Scientific, 1998 | 392 | 1998 |
| Transport and spectroscopy of the hydrated proton: a molecular dynamics study R Vuilleumier, D Borgis The Journal of chemical physics 111 (9), 4251-4266, 1999 | 322 | 1999 |
| A dynamical theory of nonadiabatic proton and hydrogen atom transfer reaction rates in solution DC Borgis, S Lee, JT Hynes Chemical physics letters 162 (1-2), 19-26, 1989 | 305 | 1989 |
| Dynamical theory of proton tunneling transfer rates in solution: general formulation D Borgis, JT Hynes Chemical physics 170 (3), 315-346, 1993 | 303 | 1993 |
| Curve crossing formulation for proton transfer reactions in solution D Borgis, JT Hynes The Journal of Physical Chemistry 100 (4), 1118-1128, 1996 | 292 | 1996 |
| Proton transfer in hydrogen‐bonded acid–base complexes in polar solvents A Staib, D Borgis, JT Hynes The Journal of chemical physics 102 (6), 2487-2505, 1995 | 255 | 1995 |
| Molecular dynamics simulation of an excess charge in water using mobile Gaussian orbitals A Staib, D Borgis The Journal of chemical physics 103 (7), 2642-2655, 1995 | 240 | 1995 |
| An extended empirical valence bond model for describing proton transfer in H+ (H2O) n clusters and liquid water R Vuilleumier, D Borgis Chemical physics letters 284 (1-2), 71-77, 1998 | 215 | 1998 |
| A quantum molecular‐dynamics study of proton‐transfer reactions along asymmetrical H bonds in solution H Azzouz, D Borgis The Journal of chemical physics 98 (9), 7361-7374, 1993 | 205 | 1993 |
| An adiabatic dynamical simulation study of the Zundel polarization of strongly H‐bonded complexes in solution D Borgis, G Tarjus, H Azzouz The Journal of chemical physics 97 (2), 1390-1400, 1992 | 199 | 1992 |
| Quantum dynamics of an excess proton in water using an extended empirical valence-bond Hamiltonian R Vuilleumier, D Borgis The Journal of Physical Chemistry B 102 (22), 4261-4264, 1998 | 196 | 1998 |
| Analytical investigations of an electron–water molecule pseudopotential. II. Development of a new pair potential and molecular dynamics simulations L Turi, D Borgis The Journal of chemical physics 117 (13), 6186-6195, 2002 | 194 | 2002 |
| Infrared Spectroscopy of N-Methylacetamide Revisited by ab Initio Molecular Dynamics Simulations MP Gaigeot, R Vuilleumier, M Sprik, D Borgis Journal of chemical theory and computation 1 (5), 772-789, 2005 | 181 | 2005 |
| Reaction pathways in the photodetachment of an electron from aqueous chloride: A quantum molecular dynamics study A Staib, D Borgis The Journal of chemical physics 104 (22), 9027-9039, 1996 | 144 | 1996 |
| Extracting effective normal modes from equilibrium dynamics at finite temperature M Martinez, MP Gaigeot, D Borgis, R Vuilleumier The Journal of chemical physics 125 (14), 2006 | 136 | 2006 |
| Solvent-induced proton transfer in strongly hydrogen-bonded complexes: an adiabatic dynamical simulation study D Borgis, G Tarjus, H Azzouz The Journal of Physical Chemistry 96 (8), 3188-3191, 1992 | 131 | 1992 |
| Molecular density functional theory of solvation: From polar solvents to water S Zhao, R Ramirez, R Vuilleumier, D Borgis The Journal of chemical physics 134 (19), 2011 | 123 | 2011 |
| A coarse-grained protein− protein potential derived from an all-atom force field N Basdevant, D Borgis, T Ha-Duong The Journal of Physical Chemistry B 111 (31), 9390-9399, 2007 | 121 | 2007 |
| Molecular density functional theory of water G Jeanmairet, M Levesque, R Vuilleumier, D Borgis The Journal of Physical Chemistry Letters 4 (4), 619-624, 2013 | 112 | 2013 |