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Journal of the American Chemical Society|May 4, 2006
Cope elimination: elucidation of solvent effects from QM/MM simulationsOrlando Acevedo, William L JorgensenJournal of the American Chemical Society|June 8, 2010
Thorpe-Ingold acceleration of oxirane formation is mostly a solvent effectJakub Kostal, William L JorgensenOrganic Letters|August 28, 2004
Solvent effects and mechanism for a nucleophilic aromatic substitution from QM/MM simulationsOrlando Acevedo, William L JorgensenJournal of the American Chemical Society|June 16, 2005
Influence of inter- and intramolecular hydrogen bonding on kemp decarboxylations from QM/MM simulationsOrlando Acevedo, William L JorgensenJournal of Chemical Theory and Computation|January 19, 2013
Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent Anti-HIV AgentsWilliam L Jorgensen, Patric SchymanThe Journal of Organic Chemistry|June 17, 2006
Medium effects on the decarboxylation of a biotin model in pure and mixed solvents from QM/MM simulationsOrlando Acevedo, William L JorgensenAccounts of Chemical Research|September 5, 2009
Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactionsOrlando Acevedo, William L JorgensenThe Journal of Physical Chemistry. B|June 10, 2010
Exploring solvent effects upon the Menshutkin reaction using a polarizable force fieldOrlando Acevedo, William L JorgensenThe Journal of Physical Chemistry Letters|February 27, 2013
Exploring Adsorption of Water and Ions on Carbon Surfaces using a Polarizable Force FieldPatric Schyman, William L JorgensenJournal of Chemical Theory and Computation|December 4, 2015
Understanding Rate Accelerations for Diels-Alder Reactions in Solution Using Enhanced QM/MM MethodologyOrlando Acevedo, William L JorgensenPageof 23