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The Journal of Chemical Physics|July 16, 2021
Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functionalDaniel Borgis, Sohvi Luukkonen, Luc Belloni, et al.Chemical Science|October 20, 2023
Dielectric response of confined water films from a classical density functional theory perspectiveDaniel Borgis, Damien Laage, Luc Belloni, et al.The Journal of Physical Chemistry Letters|August 19, 2015
Molecular Density Functional Theory of WaterGuillaume Jeanmairet, Maximilien Levesque, Rodolphe Vuilleumier, et al.The Journal of Chemical Physics|October 3, 2019
Study of a water-graphene capacitor with molecular density functional theoryGuillaume Jeanmairet, Benjamin Rotenberg, Daniel Borgis, et al.The Journal of Chemical Physics|April 24, 2015
Molecular density functional theory for water with liquid-gas coexistence and correct pressureGuillaume Jeanmairet, Maximilien Levesque, Volodymyr Sergiievskyi, et al.Journal of Chemical Information and Modeling|June 26, 2020
Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional TheorySohvi Luukkonen, Luc Belloni, Daniel Borgis, et al.The Journal of Chemical Physics|July 17, 2009
Nuclear quantum effects in electronically adiabatic quantum time correlation functions: application to the absorption spectrum of a hydrated electronLászló Turi, György Hantal, Peter J Rossky, et al.The Journal of Physical Chemistry Letters|August 15, 2015
Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume CorrectionsVolodymyr P Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque, et al.Chemical Science|March 19, 2019
A molecular density functional theory approach to electron transfer reactionsGuillaume Jeanmairet, Benjamin Rotenberg, Maximilien Levesque, et al.The Journal of Chemical Physics|October 18, 2006
Effective multipoles and Yukawa electrostatics in dressed molecule theoryRosa Ramirez, Roland KjellanderPageof 6