| SAMPL6 host–guest challenge: binding free energies via a multistep approach Y Eken, P Patel, T Díaz, MR Jones, AK Wilson Journal of computer-aided molecular design 32, 1097-1115, 2018 | 21 | 2018 |
| Computational investigation of the role of active site heterogeneity for a supported organovanadium (iii) hydrogenation catalyst P Patel, RH Wells, DM Kaphan, M Delferro, RT Skodje, C Liu ACS Catalysis 11 (12), 7257-7269, 2021 | 20 | 2021 |
| Charge stabilization in high-potential zinc porphyrin-fullerene via axial ligation of tetrathiafulvalene CO Obondi, GN Lim, Y Jang, P Patel, AK Wilson, PK Poddutoori, ... The Journal of Physical Chemistry C 122 (25), 13636-13647, 2018 | 19 | 2018 |
| Domain‐based local pair natural orbital methods within the correlation consistent composite approach P Patel, AK Wilson Journal of Computational Chemistry 41 (8), 800-813, 2020 | 16 | 2020 |
| SAMPL6 logP challenge: machine learning and quantum mechanical approaches P Patel, DM Kuntz, MR Jones, BR Brooks, AK Wilson Journal of computer-aided molecular design 34, 495-510, 2020 | 13 | 2020 |
| Single-molecule kinetics of styrene hydrogenation on silica-supported vanadium: The role of disorder for single-atom catalysts RH Wells, S An, P Patel, C Liu, RT Skodje The Journal of Physical Chemistry C 125 (37), 20286-20300, 2021 | 12 | 2021 |
| Integrated Experimental and Computational K-Edge X-ray Absorption Near-Edge Structure Analysis of Vanadium Catalysts P Patel, Z Lu, MG Jafari, C Hernández-Prieto, P Zatsepin, DJ Mindiola, ... The Journal of Physical Chemistry C 126 (29), 11949-11962, 2022 | 10 | 2022 |
| Lithium-Ion Battery Materials as Tunable,“Redox Non-Innocent” Catalyst Supports A Chapovetsky, RM Kennedy, R Witzke, EC Wegener, F Dogan, P Patel, ... ACS Catalysis 12 (12), 7233-7242, 2022 | 9 | 2022 |
| Computational chemistry considerations in catalysis: Regioselectivity and metal-ligand dissociation P Patel, AK Wilson Catalysis Today 358, 422-429, 2020 | 9 | 2020 |
| Tale of Three Molecular Nitrides: Mononuclear Vanadium (V) and (IV) Nitrides As Well As a Mixed-Valence Trivanadium Nitride Having a V3N4 Double-Diamond … M G. Jafari, D Fehn, A Reinholdt, C Hernández-Prieto, P Patel, MR Gau, ... Journal of the American Chemical Society 144 (23), 10201-10219, 2022 | 7 | 2022 |
| Ab initio composite methodologies: Their significance for the chemistry community P Patel, TRL Melin, SC North, AK Wilson Annual Reports in Computational Chemistry 17, 113-161, 2021 | 7 | 2021 |
| Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis S An, P Patel, C Liu, RT Skodje The Journal of Physical Chemistry A 126 (23), 3783-3796, 2022 | 4 | 2022 |
| Electrochemical Investigation of Low-Valent Multiply M≡ M Bonded Group VI Dimers: A Standard Chemical Reduction Leads to an Unexpected Product A Chapovetsky, P Patel, C Liu, AP Sattelberger, DM Kaphan, M Delferro Organometallics 39 (24), 4430-4436, 2020 | 4 | 2020 |
| Prediction of pKas of Late Transition‐Metal Hydrides via a QM/QM Approach P Patel, J Wang, AK Wilson Journal of Computational Chemistry 41 (3), 171-183, 2020 | 4 | 2020 |
| Understanding the dynamic evolution of atomically dispersed Cu catalyst for CO2 electrochemical conversion using integrated XANES analysis and mechanistic studies J Xu, P Patel, DJ Liu, T Xu, C Liu Journal of Catalysis 425, 296-305, 2023 | 3 | 2023 |
| Theoretical Investigation of the Hydrogenation of Cyclohexene Catalyzed by Supported Single-Atom Sites on Redox Noninnocent LiMn2O4 and Li2Mn2O4 Surfaces J Xu, P Patel, AJ Kropf, D Kaphan, M Delferro, C Liu The Journal of Physical Chemistry C, 2024 | 1 | 2024 |
| Integrating multiscale and machine learning approaches towards the SAMPL9 log P challenge MR Draper, A Waterman, JE Dannatt, P Patel Physical Chemistry Chemical Physics 26 (9), 7907-7919, 2024 | 1 | 2024 |
| Active Site Engineering via Optimizing the Heterogeneous Support Structure for Single-Atom Catalysis S An, P Patel, C Liu, RT Skodje The Journal of Physical Chemistry C 127 (34), 16901-16913, 2023 | 1 | 2023 |
| Integrated Experimental and Computational K-edge XANES Analysis of Vanadium Catalysts P Patel, Z Lu, MG Jafari, C Hernandez-Prieto, P Zatsepin, DJ Mindiola, ... | 1 | 2022 |
| Recent Advances on Computational Modeling of Supported Single-Atom and Cluster Catalysts: Characterization, Catalyst–Support Interaction, and Active Site Heterogeneity J Xu, C Lund, P Patel, YL Kim, C Liu Catalysts 14 (4), 224, 2024 | | 2024 |
Angela K. WilsonJohn A. Hannah Distinguished Professor of Chemistry, Michigan State UniversityVerified email at msu.edu
