| Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide M Cabán-Acevedo, ML Stone, JR Schmidt, JG Thomas, Q Ding, ... Nature materials 14 (12), 1245-1251, 2015 | 1231 | 2015 |
| Hydrogen bonding definitions and dynamics in liquid water R Kumar, JR Schmidt, JL Skinner The Journal of chemical physics 126 (20), 2007 | 793 | 2007 |
| In situ, time-resolved, and mechanistic studies of metal–organic framework nucleation and growth MJ Van Vleet, T Weng, X Li, JR Schmidt Chemical reviews 118 (7), 3681-3721, 2018 | 480 | 2018 |
| Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute HOD in liquid D2O B Auer, R Kumar, JR Schmidt, JL Skinner Proceedings of the National Academy of Sciences 104 (36), 14215-14220, 2007 | 423 | 2007 |
| Pronounced non-Condon effects in the ultrafast infrared spectroscopy of water JR Schmidt, SA Corcelli, JL Skinner The Journal of chemical physics 123 (4), 2005 | 325 | 2005 |
| Ultrafast vibrational spectroscopy of water and aqueous -methylacetamide: Comparison of different electronic structure/molecular dynamics approaches JR Schmidt, SA Corcelli, JL Skinner The Journal of chemical physics 121 (18), 8887-8896, 2004 | 290 | 2004 |
| Tuning mixed nickel iron phosphosulfide nanosheet electrocatalysts for enhanced hydrogen and oxygen evolution B Song, K Li, Y Yin, T Wu, L Dang, M Cabán-Acevedo, J Han, T Gao, ... Acs Catalysis 7 (12), 8549-8557, 2017 | 289 | 2017 |
| Mixed quantum-classical equilibrium: Surface hopping JR Schmidt, PV Parandekar, JC Tully The Journal of chemical physics 129 (4), 2008 | 212 | 2008 |
| Generalization of natural bond orbital analysis to periodic systems: applications to solids and surfaces via plane-wave density functional theory BD Dunnington, JR Schmidt Journal of Chemical Theory and Computation 8 (6), 1902-1911, 2012 | 211 | 2012 |
| Electrocatalytic Production of H2O2 by Selective Oxygen Reduction Using Earth-Abundant Cobalt Pyrite (CoS2) H Sheng, ED Hermes, X Yang, D Ying, AN Janes, W Li, JR Schmidt, S Jin ACS Catalysis 9 (9), 8433-8442, 2019 | 201 | 2019 |
| WebMO Pro. WebMO, LLC: Holland, MI, USA JR Schmidt, WF Polik URL: http://www. webmo. net, 2007 | 197* | 2007 |
| Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments? JR Schmidt, ST Roberts, JJ Loparo, A Tokmakoff, MD Fayer, JL Skinner Chemical Physics 341 (1-3), 143-157, 2007 | 195 | 2007 |
| Vertical heterostructures of layered metal chalcogenides by van der Waals epitaxy X Zhang, F Meng, JR Christianson, C Arroyo-Torres, MA Lukowski, ... Nano letters 14 (6), 3047-3054, 2014 | 167 | 2014 |
| Stable and selective electrosynthesis of hydrogen peroxide and the electro-Fenton process on CoSe 2 polymorph catalysts H Sheng, AN Janes, RD Ross, D Kaiman, J Huang, B Song, JR Schmidt, ... Energy & Environmental Science 13 (11), 4189-4203, 2020 | 163 | 2020 |
| Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems TR Galeev, BD Dunnington, JR Schmidt, AI Boldyrev Physical Chemistry Chemical Physics 15 (14), 5022-5029, 2013 | 161 | 2013 |
| Physically-motivated force fields from symmetry-adapted perturbation theory JG McDaniel, JR Schmidt The Journal of Physical Chemistry A 117 (10), 2053-2066, 2013 | 157 | 2013 |
| Computational characterization of defects in metal–organic frameworks: Spontaneous and water-induced point defects in ZIF-8 C Zhang, C Han, DS Sholl, JR Schmidt The journal of physical chemistry letters 7 (3), 459-464, 2016 | 153 | 2016 |
| Hydrodynamic boundary conditions, the Stokes–Einstein law, and long-time tails in the Brownian limit JR Schmidt, JL Skinner The Journal of chemical physics 119 (15), 8062-8068, 2003 | 132 | 2003 |
| Ab Initio, Physically Motivated Force Fields for CO2 Adsorption in Zeolitic Imidazolate Frameworks JG McDaniel, K Yu, JR Schmidt The Journal of Physical Chemistry C 116 (2), 1892-1903, 2012 | 118 | 2012 |
| Beyond Born–Mayer: Improved models for short-range repulsion in ab initio force fields MJ Van Vleet, AJ Misquitta, AJ Stone, JR Schmidt Journal of chemical theory and computation 12 (8), 3851-3870, 2016 | 113 | 2016 |
James L. SkinnerEmeritus Professor, University of WisconsinVerified email at wisc.edu
