| Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and alkylbenzenes CD Wick, MG Martin, JI Siepmann The Journal of Physical Chemistry B 104 (33), 8008-8016, 2000 | 741 | 2000 |
| Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine CD Wick, JM Stubbs, N Rai, JI Siepmann The Journal of Physical Chemistry B 109 (40), 18974-18982, 2005 | 275 | 2005 |
| Self-adapting fixed-end-point configurational-bias Monte Carlo method for the regrowth of interior segments of chain molecules with strong intramolecular interactions CD Wick, JI Siepmann Macromolecules 33 (19), 7207-7218, 2000 | 154 | 2000 |
| The effect of polarizability for understanding the molecular structure of aqueous interfaces CD Wick, IFW Kuo, CJ Mundy, LX Dang Journal of chemical theory and computation 3 (6), 2002-2010, 2007 | 150 | 2007 |
| Transferable potentials for phase equilibria–united atom description of five-and six-membered cyclic alkanes and ethers SJ Keasler, SM Charan, CD Wick, IG Economou, JI Siepmann The Journal of Physical Chemistry B 116 (36), 11234-11246, 2012 | 139 | 2012 |
| Temperature effects on the retention of n-alkanes and arenes in helium–squalane gas–liquid chromatography: experiment and molecular simulation CD Wick, JI Siepmann, WL Klotz, MR Schure Journal of Chromatography A 954 (1-2), 181-190, 2002 | 100 | 2002 |
| Computational investigation of the first solvation shell structure of interfacial and bulk aqueous chloride and iodide ions CD Wick, SS Xantheas The Journal of Physical Chemistry B 113 (13), 4141-4146, 2009 | 97 | 2009 |
| Connectivity-altering Monte Carlo simulations of the end group effects on volumetric properties for poly (ethylene oxide) CD Wick, DN Theodorou Macromolecules 37 (18), 7026-7033, 2004 | 75 | 2004 |
| Simulated surface potentials at the vapor-water interface for the KCl aqueous electrolyte solution CD Wick, LX Dang, P Jungwirth The Journal of chemical physics 125 (2), 2006 | 74 | 2006 |
| Mechanical failure of metal/ceramic interfacial regions under shear loading X Zhang, B Zhang, Y Mu, S Shao, CD Wick, BR Ramachandran, WJ Meng Acta Materialia 138, 224-236, 2017 | 70 | 2017 |
| Comparison of Storage Mechanisms in RuO2, SnO2, and SnS2 for Lithium-Ion Battery Anode Materials AS Hassan, K Moyer, BR Ramachandran, CD Wick The Journal of Physical Chemistry C 120 (4), 2036-2046, 2016 | 65 | 2016 |
| Recent advances in understanding transfer ions across aqueous interfaces CD Wick, LX Dang Chemical Physics Letters 458 (1-3), 1-5, 2008 | 62 | 2008 |
| Molecular Mechanism of CO2 and SO2 Molecules Binding to the Air/Liquid Interface of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Molecular … CD Wick, TM Chang, LX Dang The Journal of Physical Chemistry B 114 (46), 14965-14971, 2010 | 56 | 2010 |
| Computational investigation on the role of plasticizers on ion conductivity in poly (ethylene oxide) LiTFSI electrolytes H Wu, CD Wick Macromolecules 43 (7), 3502-3510, 2010 | 55 | 2010 |
| Machine learning assisted discovery of new thermoset shape memory polymers based on a small training dataset C Yan, X Feng, C Wick, A Peters, G Li Polymer 214, 123351, 2021 | 54 | 2021 |
| Molecular Simulation of Concurrent Gas− Liquid Interfacial Adsorption and Partitioning in Gas− Liquid Chromatography CD Wick, JI Siepmann, MR Schure Analytical chemistry 74 (14), 3518-3524, 2002 | 53 | 2002 |
| Diffusion at the liquid− vapor interface of an aqueous ionic solution utilizing a dual simulation technique CD Wick, LX Dang The Journal of Physical Chemistry B 109 (32), 15574-15579, 2005 | 52 | 2005 |
| Quantifying the contributions of energy storage in a thermoset shape memory polymer with high stress recovery: a molecular dynamics study CD Wick, AJ Peters, G Li Polymer 213, 123319, 2021 | 50 | 2021 |
| Investigating hydroxide anion interfacial activity by classical and multistate empirical valence bond molecular dynamics simulations CD Wick, LX Dang The Journal of Physical Chemistry A 113 (22), 6356-6364, 2009 | 50 | 2009 |
| Electrostatic dampening dampens the anion propensity for the air-water interface CD Wick The Journal of chemical physics 131 (8), 2009 | 47 | 2009 |