| Oxidation of ethane to ethanol by N2O in a metal–organic framework with coordinatively unsaturated iron(II) sites DJ Xiao, ED Bloch, JA Mason, WL Queen, MR Hudson, N Planas, ... Nature chemistry 6 (7), 590-595, 2014 | 458 | 2014 |
| Status and challenges of density functional theory P Verma, DG Truhlar Trends in Chemistry 2 (4), 302-318, 2020 | 333 | 2020 |
| Combining wave function methods with density functional theory for excited states S Ghosh, P Verma, CJ Cramer, L Gagliardi, DG Truhlar Chemical reviews 118 (15), 7249-7292, 2018 | 226 | 2018 |
| Revised M06 density functional for main-group and transition-metal chemistry Y Wang, P Verma, X Jin, DG Truhlar, X He Proceedings of the National Academy of Sciences 115 (41), 10257-10262, 2018 | 194 | 2018 |
| Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4 K Lee, WC Isley III, AL Dzubak, P Verma, SJ Stoneburner, LC Lin, ... Journal of the American Chemical Society 136 (2), 698-704, 2014 | 192 | 2014 |
| Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)–Oxo Sites in Magnesium-Diluted Fe2(dobdc) P Verma, KD Vogiatzis, N Planas, J Borycz, DJ Xiao, JR Long, L Gagliardi, ... Journal of the American Chemical Society 137 (17), 5770-5781, 2015 | 189 | 2015 |
| Adsorption on Fe-MOF-74 for C1–C3 hydrocarbon separation P Verma, X Xu, DG Truhlar The Journal of Physical Chemistry C 117 (24), 12648-12660, 2013 | 149 | 2013 |
| Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals SY Haoyu, W Zhang, P Verma, X He, DG Truhlar Physical Chemistry Chemical Physics 17 (18), 12146-12160, 2015 | 144 | 2015 |
| Assessment of electronic structure methods for the determination of the ground spin states of Fe (II), Fe (III) and Fe (IV) complexes P Verma, Z Varga, JEMN Klein, CJ Cramer, L Que, DG Truhlar Physical Chemistry Chemical Physics 19 (20), 13049-13069, 2017 | 133 | 2017 |
| HLE16: A local Kohn–Sham gradient approximation with good performance for semiconductor band gaps and molecular excitation energies P Verma, DG Truhlar The journal of physical chemistry letters 8 (2), 380-387, 2017 | 106 | 2017 |
| Revised M11 exchange-correlation functional for electronic excitation energies and ground-state properties P Verma, Y Wang, S Ghosh, X He, DG Truhlar The Journal of Physical Chemistry A 123 (13), 2966-2990, 2019 | 95 | 2019 |
| Mechanistic insights on N-heterocyclic carbene-catalyzed annulations: the role of base-assisted proton transfers P Verma, PA Patni, RB Sunoj The Journal of Organic Chemistry 76 (14), 5606-5613, 2011 | 95 | 2011 |
| HLE17: An improved local exchange–correlation functional for computing semiconductor band gaps and molecular excitation energies P Verma, DG Truhlar The Journal of Physical Chemistry C 121 (13), 7144-7154, 2017 | 90 | 2017 |
| Reversible dehydrogenation and rehydrogenation of cyclohexane and methylcyclohexane by single-site platinum catalyst L Chen, P Verma, K Hou, Z Qi, S Zhang, YS Liu, J Guo, V Stavila, ... Nature communications 13 (1), 1092, 2022 | 84 | 2022 |
| Multiconfiguration Pair-Density Functional Theory Predicts Spin-State Ordering in Iron Complexes with the Same Accuracy as Complete Active Space Second-Order Perturbation … L Wilbraham, P Verma, DG Truhlar, L Gagliardi, I Ciofini The Journal of Physical Chemistry Letters, 2017 | 76 | 2017 |
| M06-SX screened-exchange density functional for chemistry and solid-state physics Y Wang, P Verma, L Zhang, Y Li, Z Liu, DG Truhlar, X He Proceedings of the National Academy of Sciences 117 (5), 2294-2301, 2020 | 69 | 2020 |
| Does DFT+ U mimic hybrid density functionals? P Verma, DG Truhlar Theoretical Chemistry Accounts 135 (8), 182, 2016 | 68 | 2016 |
| Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe2(dobdc) R Maurice, P Verma, JM Zadrozny, S Luo, J Borycz, JR Long, DG Truhlar, ... Inorganic chemistry 52 (16), 9379-9389, 2013 | 62 | 2013 |
| Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules? P Verma, DG Truhlar Physical Chemistry Chemical Physics 19 (20), 12898-12912, 2017 | 56 | 2017 |
| M11plus: A range-separated hybrid meta functional with both local and rung-3.5 correlation terms and high across-the-board accuracy for chemical applications P Verma, BG Janesko, Y Wang, X He, G Scalmani, MJ Frisch, DG Truhlar Journal of Chemical Theory and Computation 15 (9), 4804-4815, 2019 | 33 | 2019 |
Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
