| Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics CJ Fennell, JD Gezelter The Journal of chemical physics 124 (23), 234104, 2006 | 651 | 2006 |
| Ion pairing in molecular simulations of aqueous alkali halide solutions CJ Fennell, A Bizjak, V Vlachy, KA Dill The Journal of Physical Chemistry B 113 (19), 6782-6791, 2009 | 319 | 2009 |
| How water’s properties are encoded in its molecular structure and energies E Brini, CJ Fennell, M Fernandez-Serra, B Hribar-Lee, M Luksic, KA Dill Chemical reviews 117 (19), 12385-12414, 2017 | 304 | 2017 |
| Photocatalyst size controls electron and energy transfer: selectable E/Z isomer synthesis via C–F alkenylation A Singh, CJ Fennell, JD Weaver Chemical Science 7 (11), 6796-6802, 2016 | 144 | 2016 |
| Charge asymmetries in hydration of polar solutes DL Mobley, AE Barber, CJ Fennell, KA Dill The journal of physical chemistry B 112 (8), 2405-2414, 2008 | 117 | 2008 |
| Modeling aqueous solvation with semi-explicit assembly CJ Fennell, CW Kehoe, KA Dill Proceedings of the National Academy of Sciences 108 (8), 3234-3239, 2011 | 80 | 2011 |
| Structure of the Interfacial Region in Adsorbed Poly (vinyl acetate) on Silica H Mortazavian, CJ Fennell, FD Blum Macromolecules 49 (1), 298-307, 2016 | 76 | 2016 |
| Simple liquid models with corrected dielectric constants CJ Fennell, L Li, KA Dill The Journal of Physical Chemistry B 116 (23), 6936-6944, 2012 | 73 | 2012 |
| A fixed-charge model for alcohol polarization in the condensed phase, and its role in small molecule hydration CJ Fennell, KL Wymer, DL Mobley The Journal of Physical Chemistry B 118 (24), 6438-6446, 2014 | 71 | 2014 |
| Oil/water transfer is partly driven by molecular shape, not just size CJ Fennell, C Kehoe, KA Dill Journal of the American Chemical Society 132 (1), 234-240, 2010 | 52 | 2010 |
| Physical modeling of aqueous solvation CJ Fennell, KA Dill Journal of statistical physics 145, 209-226, 2011 | 50 | 2011 |
| Light harvesting for rapid and selective reactions: click chemistry with strain-loadable alkenes K Singh, CJ Fennell, EA Coutsias, R Latifi, S Hartson, JD Weaver Chem 4 (1), 124-137, 2018 | 49 | 2018 |
| OOPSE: An object‐oriented parallel simulation engine for molecular dynamics MA Meineke, CF Vardeman, T Lin, CJ Fennell, JD Gezelter Journal of computational chemistry 26 (3), 252-271, 2005 | 48 | 2005 |
| Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice Ih CJ Fennell, JD Gezelter Journal of Chemical Theory and Computation 1 (4), 662-667, 2005 | 42 | 2005 |
| On the structural and transport properties of the soft sticky dipole and related single-point water models CJ Fennell, JD Gezelter The Journal of chemical physics 120 (19), 9175-9184, 2004 | 39 | 2004 |
| Surface Bonding Is Stronger for Poly (methyl methacrylate) than for Poly (vinyl acetate) H Mortazavian, CJ Fennell, FD Blum Macromolecules 49 (11), 4211-4219, 2016 | 36 | 2016 |
| OpenMD, an open source engine for molecular dynamics JD Gezelter, S Kuang, J Marr, K Stocker, C Li, C Vardeman, T Lin, ... University of Notre Dame, Notre Dame, IN, 2010 | 33 | 2010 |
| Field-SEA: a model for computing the solvation free energies of nonpolar, polar, and charged solutes in water L Li, CJ Fennell, KA Dill The Journal of Physical Chemistry B 118 (24), 6431-6437, 2014 | 30 | 2014 |
| Testing the semi-explicit assembly solvation model in the SAMPL3 community blind test CW Kehoe, CJ Fennell, KA Dill Journal of computer-aided molecular design 26, 563-568, 2012 | 27 | 2012 |
| Using interpolation for fast and accurate calculation of ion–ion interactions M Luksic, CJ Fennell, KA Dill The Journal of Physical Chemistry B 118 (28), 8017-8025, 2014 | 23 | 2014 |
Ken A. DillDirector of Laufer Center, Stony Brook UniversityVerified email at laufercenter.org
