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Chemistry (Weinheim an Der Bergstrasse, Germany)|March 28, 2007
Unusual bond formation in aspartic protease inhibitors: a theoretical studyJulien Pilmé, Hélène Berthoumieux, Vincent Robert, et al.Inorganic Chemistry|December 10, 2002
Does back-bonding involve bonding orbitals in boryl complexes? A theoretical DFT studyGéraldine Sivignon, Paul Fleurat-Lessard, Jean-Marie Onno, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 25, 2011
Evidences for the key role of hydrogen bonds in nucleophilic aromatic substitution reactionsNicolas Chéron, Laurent El Kaïm, Laurence Grimaud, et al.The Journal of Physical Chemistry. A|July 27, 2011
A density functional theory study of the Nef-isocyanide reaction: mechanism, influence of parameters and scopeNicolas Chéron, Laurent El Kaïm, Laurence Grimaud, et al.Journal of Chemical Theory and Computation|November 24, 2015
Multiscale Modeling of Chemistry in Water: Are We There Yet?Rosa E Bulo, Carine Michel, Paul Fleurat-Lessard, et al.Journal of Chemical Theory and Computation|May 16, 2020
Ten Facets, One Force Field: The GAL19 Force Field for Water-Noble Metal InterfacesPaul Clabaut, Paul Fleurat-Lessard, Carine Michel, et al.The Journal of Physical Chemistry. A|July 27, 2013
Substituent effects in Ugi-smiles reactionsNicolas Chéron, Romain Ramozzi, Laurent El Kaïm, et al.The Journal of Organic Chemistry|January 10, 2012
Challenging 50 years of established views on Ugi reaction: a theoretical approachNicolas Chéron, Romain Ramozzi, Laurent El Kaïm, et al.The Journal of Physical Chemistry. B|April 13, 2010
Free energy calculations: an efficient adaptive biasing potential methodBradley M Dickson, Frédéric Legoll, Tony Lelièvre, et al.The Journal of Organic Chemistry|January 18, 2008
Trimerization products of trifluoroacetone: critical solvent effect on position and kinetics of anomeric equilibriaPierre-Loïc Saaidi, Mathieu Guyonnet, Erwann Jeanneau, et al.Pageof 17