| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of Chemical Physics 155 (8), 084801, 2021 | 643 | 2021 |
| An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage MD Allendorf, Z Hulvey, T Gennett, A Ahmed, T Autrey, J Camp, ES Cho, ... Energy & Environmental Science 11 (10), 2784-2812, 2018 | 208 | 2018 |
| “Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S··· O Chalcogen Bonding SP Thomas, SPKP Veccham, LJ Farrugia, TN Guru Row Crystal Growth & Design 15 (5), 2110-2118, 2015 | 66 | 2015 |
| From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis Y Mao, M Loipersberger, PR Horn, A Das, O Demerdash, DS Levine, ... Annual review of physical chemistry 72, 641-666, 2021 | 63 | 2021 |
| High‐Temperature Hydrogen Storage of Multiple Molecules: Theoretical Insights from Metalated Catechols E Tsivion, SP Veccham, M Head‐Gordon ChemPhysChem 18 (2), 184-188, 2017 | 25 | 2017 |
| Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach SP Veccham, J Lee, M Head-Gordon The Journal of Chemical Physics 151 (19), 194101, 2019 | 23 | 2019 |
| A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies SP Veccham, J Lee, Y Mao, PR Horn, M Head-Gordon Physical Chemistry Chemical Physics 23 (2), 928-943, 2021 | 20 | 2021 |
| Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 Functionals SP Veccham, M Head-Gordon Journal of Chemical Theory and Computation 16 (8), 4963–4982, 2020 | 17 | 2020 |
| Assessment of Performance of Density Functionals for Predicting Potential Energy Curves in Hydrogen Storage Applications SP Veccham, M Head-Gordon The Journal of Physical Chemistry A 125 (19), 4245-4257, 2021 | 3 | 2021 |
| Exactly Fragment Additive Breakdown of Polarization for Energy Decomposition Analysis Based on the Self-Consistent Field for Molecular Interactions H Shen, SP Veccham, M Head-Gordon Journal of Chemical Theory and Computation 19 (23), 8624-8638, 2023 | 1 | 2023 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package W Skomorowski, PR Horn, AF White, P Pokhilko, N Mardirossian, Y Mao, ... Journal of Chemical Physics, 2021 | | 2021 |
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, Berkeleycchem.berkeley.edu üzerinde doğrulanmış e-posta adresine sahip
