| Computer-aided molecular design of bis-phosphine oxide lanthanide extractants BW McCann, ND Silva, TL Windus, MS Gordon, BA Moyer, VS Bryantsev, ... Inorganic chemistry 55 (12), 5787-5803, 2016 | 51 | 2016 |
| Pairwise Alternatives to Ewald Summation for Calculating Long-Range Electrostatics in Ionic Liquids BW McCann, O Acevedo Journal of Chemical Theory and Computation 9 (2), 944-950, 2013 | 49 | 2013 |
| Benchmarking continuum solvent models for Keto–Enol tautomerizations BW McCann, S McFarland, O Acevedo The Journal of Physical Chemistry A 119 (32), 8724-8733, 2015 | 35 | 2015 |
| Ionic liquid effects on nucleophilic aromatic substitution reactions from QM/MM simulations C Allen, BW McCann, O Acevedo The Journal of Physical Chemistry B 119 (3), 743-752, 2015 | 26 | 2015 |
| Inter- and Intramolecular Mechanisms for Chlorine Rearrangements in Trimethyl-Substituted N-Chlorohydantoins BW McCann, H Song, HB Kocer, I Cerkez, O Acevedo, SD Worley The Journal of Physical Chemistry A 116 (26), 7245-7252, 2012 | 8 | 2012 |
| HostDesigner, Version 3 B Hay, BW McCann AMES Laboratory, 2015 | | 2015 |
| Computer-aided molecular design of neutral lanthanide extractants B McCann ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |
| Supramolecular engineering via fragment-based design B Hay, BW McCann ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |
| Critical'Materials (Institute! BW McCann | | 2014 |
| Assessing the applicability of pairwise alternatives to Ewald summation on a wide range of ionic liquids BW McCann, O Acevedo ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| Chemistry in Silico: Organic Reactions, Ionic Liquids, Tautomerization BW McCann Auburn University, 2013 | | 2013 |
| Development of OPLS-AA force field parameters for QM/MM ionic liquid simulations O Acevedo, C Allen, BW McCann, SV Sambasivarao ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
| Benchmarking tautomerization reactions using continuum solvation models O Acevedo, BW McCann ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
Orlando AcevedoUniversity of Miami, Department of ChemistryVerified email at miami.edu
