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The Journal of Chemical Physics|September 17, 2005
Tracing the minimum-energy path on the free-energy surfacePaul Fleurat-Lessard, Tom ZieglerThe Journal of Physical Chemistry. A|July 15, 2006
Optimizing the structures of minimum and transition state on the free energy surfaceSheng-Yong Yang, Iordan Hristov, Paul Fleurat-Lessard, et al.The Journal of Chemical Physics|April 20, 2005
The effect of zero-point energy differences on the isotope dependence of the formation of ozone: a classical trajectory studyReinhard Schinke, Paul Fleurat-LessardThe Journal of Chemical Physics|September 16, 2004
The transition-state region of the O((3)P)+O(2)((3)Sigma(g) (-)) potential energy surfaceReinhard Schinke, Paul Fleurat-LessardMolecules (Basel, Switzerland)|July 2, 2021
The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine-Cytosine PairJohanna Klein, Paul Fleurat-Lessard, Julien PilméJournal of Computational Chemistry|March 4, 2021
New insights in chemical reactivity from quantum chemical topologyJohanna Klein, Paul Fleurat-Lessard, Julien PilméPhysical Chemistry Chemical Physics : PCCP|April 12, 2012
A qualitative failure of B3LYP for textbook organic reactionsNicolas Chéron, Denis Jacquemin, Paul Fleurat-LessardThe Journal of Chemical Physics|August 28, 2012
Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulationsPaul Fleurat-Lessard, Carine Michel, Rosa E BuloJournal of Chemical Theory and Computation|February 14, 2018
Explicit Solvation Matters: Performance of QM/MM Solvation Models in Nucleophilic AdditionJelle M Boereboom, Paul Fleurat-Lessard, Rosa E BuloThe Journal of Physical Chemistry. B|April 8, 2006
Simulating temperature programmed desorption of water on hydrated gamma-alumina from first-principles calculationsJérôme Joubert, Paul Fleurat-Lessard, Françoise Delbecq, et al.Pageof 17