| The quantum coherent mechanism for singlet fission: Experiment and theory WL Chan, TC Berkelbach, MR Provorse, NR Monahan, JR Tritsch, ... Accounts of chemical research 46 (6), 1321-1329, 2013 | 338 | 2013 |
| Electron dynamics with real‐time time‐dependent density functional theory MR Provorse, CM Isborn International Journal of Quantum Chemistry 116 (10), 739-749, 2016 | 135 | 2016 |
| Explicit polarization: A quantum mechanical framework for developing next generation force fields J Gao, DG Truhlar, Y Wang, MJM Mazack, P Löffler, MR Provorse, ... Accounts of Chemical Research 47 (9), 2837-2845, 2014 | 91 | 2014 |
| Origin of intense chiroptical effects in undecagold subnanometer particles MR Provorse, CM Aikens Journal of the American Chemical Society 132 (4), 1302-1310, 2010 | 75 | 2010 |
| Convergence of computed aqueous absorption spectra with explicit quantum mechanical solvent JM Milanese, MR Provorse, E Alameda Jr, CM Isborn Journal of chemical theory and computation 13 (5), 2159-2171, 2017 | 70 | 2017 |
| Multistate density functional theory for effective diabatic electronic coupling H Ren, MR Provorse, P Bao, Z Qu, J Gao The journal of physical chemistry letters 7 (12), 2286-2293, 2016 | 67 | 2016 |
| Convergence of excitation energies in mixed quantum and classical solvent: Comparison of continuum and point charge models MR Provorse, T Peev, C Xiong, CM Isborn The Journal of Physical Chemistry B 120 (47), 12148-12159, 2016 | 61 | 2016 |
| Peak-shifting in real-time time-dependent density functional theory MR Provorse, BF Habenicht, CM Isborn Journal of Chemical Theory and Computation 11 (10), 4791-4802, 2015 | 58 | 2015 |
| Two-electron Rabi oscillations in real-time time-dependent density-functional theory BF Habenicht, NP Tani, MR Provorse, CM Isborn The Journal of chemical physics 141 (18), 2014 | 51 | 2014 |
| The Third Dimension of a More O’Ferrall–Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)2H• with X = O, NH, and … A Cembran, MR Provorse, C Wang, W Wu, J Gao Journal of chemical theory and computation 8 (11), 4347-4358, 2012 | 35 | 2012 |
| Combining explicit quantum solvent with a polarizable continuum model MR Provorse Long, CM Isborn The Journal of Physical Chemistry B 121 (43), 10105-10117, 2017 | 31 | 2017 |
| Binding of carboxylates to gold nanoparticles: A theoretical study of the adsorption of formate on Au20 MR Provorse, CM Aikens Computational and Theoretical Chemistry 987, 16-21, 2012 | 23 | 2012 |
| Formyloxyl radical–gold nanoparticle binding: a theoretical study JM Hull, MR Provorse, CM Aikens The Journal of Physical Chemistry A 116 (22), 5445-5452, 2012 | 12 | 2012 |
| Hydration and charge-transfer effects of alkaline earth metal ions binding to a carboxylate anion, phosphate anion, and guanine nucleobase K Walden, ME Martin, L LaBee, M Provorse Long The Journal of Physical Chemistry B 125 (44), 12135-12146, 2021 | 4 | 2021 |
| Rational Design of Iron Spin-Crossover Complexes Using Heteroscorpionate Chelates PJ Desrochers, A Abdulrahim, KR Demaree, JA Fortner, JD Freeman, ... Inorganic Chemistry 61 (47), 18907-18922, 2022 | 2 | 2022 |
| Near-Thermal Reactions of Au+(1S,3D) and AuX+ with CH3X (X = Br, I): A Combined Experimental and Computational Analysis C Foscue, H Brown, K Walden, D Hession, WS Taylor, M Provorse Long The Journal of Physical Chemistry A 125 (8), 1696-1710, 2021 | | 2021 |
| Investigating Size-Dependent Accuracy of Real-Time Time-Dependent Density Functional Theory K Ranka, T Zuehlsdorff, M Provorse Long, C Isborn APS March Meeting Abstracts 2018, L60. 312, 2018 | | 2018 |
| Electronic transitions in the condensed phase: Real-time and linear-response time-dependent density functional theory M Provorse, C Isborn ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Convergence of ground and excited state properties in solution using combined quantum/classical methods M Provorse, X Vazquez, J Milanese, C Isborn ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Modeling excited state chemistry: Linear-response and real-time time-dependent density functional theory M Provorse, J Milanese, T Peev, C Isborn ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
