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The Journal of Chemical Physics|February 6, 2026
A variational formulation of the free energy of mixed quantum-classical systems: Coupling classical and electronic density functional theoriesGuillaume Jeanmairet, Maxime Labat, Emmanuel GinerThe Journal of Chemical Physics|November 4, 2017
Exact molecular direct, cavity, and bridge functions in water systemLuc BelloniThe Journal of Chemical Physics|July 15, 2019
Non-equilibrium hybrid insertion/extraction through the 4th dimension in grand-canonical simulationLuc BelloniThe Journal of Chemical Physics|September 10, 2018
Finite-size corrections in numerical simulation of liquid waterLuc BelloniThe Journal of Chemical Physics|December 15, 2005
Yes, pair correlations alone do determine sedimentation profiles of highly charged colloidsLuc BelloniThe Journal of Physical Chemistry. B|July 21, 2006
Density functional theory of solvation and its relation to implicit solvent modelsRosa Ramirez, Daniel BorgisThe Journal of Chemical Physics|April 24, 2012
Bridge function for the dipolar fluid from simulationJoël Puibasset, Luc BelloniThe Journal of Chemical Physics|December 17, 2017
Finite-size corrections in simulation of dipolar fluidsLuc Belloni, Joël PuibassetPhysical Chemistry Chemical Physics : PCCP|February 20, 2020
A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrileKyle G Reeves, Alessandra Serva, Guillaume Jeanmairet, et al.The Journal of Physical Chemistry. B|January 25, 2012
Molecular density functional theory: application to solvation and electron-transfer thermodynamics in polar solventsDaniel Borgis, Lionel Gendre, Rosa RamirezPageof 8