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The Journal of Physical Chemistry. A|September 26, 2008
Charge-dependent cavity radii for an accurate dielectric continuum model of solvation with emphasis on ions: aqueous solutes with oxo, hydroxo, amino, methyl, chloro, bromo, and fluoro functionalitiesBojana Ginovska, Donald M Camaioni, Michel Dupuis, et al.The Journal of Physical Chemistry Letters|May 28, 2026
Short-Range Fringing Field-Driven Charge Separation in Mixed-Phase TiO2 NanoparticlesShan Pang, Yang Liu, Ruotian Chen, et al.The Journal of Physical Chemistry. A|April 21, 2011
Comment on "New insights in the electrocatalytic proton reduction and hydrogen oxidation by bioinspired catalysts: a DFT investigation"Michel Dupuis, Shentan Chen, Simone Raugei, et al.Journal of the American Chemical Society|February 27, 2003
Characterization of electronic structure and properties of a Bis(histidine) heme model complexDayle M A Smith, Michel Dupuis, Erich R Vorpagel, et al.Journal of Chemical Theory and Computation|November 20, 2015
Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-Based ElectrocatalystsMing-Hsun Ho, Simone Raugei, Roger Rousseau, et al.Journal of Chemical Information and Modeling|November 9, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at ScaleJoshua T Horton, Simon Boothroyd, Jeffrey Wagner, et al.Physical Chemistry Chemical Physics : PCCP|June 10, 2010
Formation of O adatom pairs and charge transfer upon O(2) dissociation on reduced TiO(2)(110)Yingge Du, Nathaniel A Deskins, Zhenrong Zhang, et al.The Journal of Physical Chemistry. A|January 27, 2012
A comparative ab initio study of the primary hydration and proton dissociation of various imide and sulfonic acid ionomersJeffrey K Clark, Stephen J Paddison, Michael Eikerling, et al.The Journal of Physical Chemistry. B|September 24, 2010
Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membraneRam Devanathan, Arun Venkatnathan, Roger Rousseau, et al.The Journal of Physical Chemistry. B|August 4, 2006
Electronic coupling between heme electron-transfer centers and its decay with distance depends strongly on relative orientationDayle M A Smith, Kevin M Rosso, Michel Dupuis, et al.Pageof 8