| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3018 | 2015 |
| 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), 2021 | 640 | 2021 |
| Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain S Xie, L Tu, Y Han, L Huang, K Kang, KU Lao, P Poddar, C Park, ... Science 359 (6380), 1131-1136, 2018 | 313 | 2018 |
| Facet-dependent catalytic activity of gold nanocubes, octahedra, and rhombic dodecahedra toward 4-nitroaniline reduction CY Chiu, PJ Chung, KU Lao, CW Liao, MH Huang The Journal of Physical Chemistry C 116 (44), 23757-23763, 2012 | 231 | 2012 |
| Accurate molecular polarizabilities with coupled cluster theory and machine learning DM Wilkins, A Grisafi, Y Yang, KU Lao, RA DiStasio Jr, M Ceriotti Proceedings of the National Academy of Sciences 116 (9), 3401-3406, 2019 | 175 | 2019 |
| A comparative study of gold nanocubes, octahedra, and rhombic dodecahedra as highly sensitive SERS substrates HL Wu, HR Tsai, YT Hung, KU Lao, CW Liao, PJ Chung, JS Huang, ... Inorganic chemistry 50 (17), 8106-8111, 2011 | 154 | 2011 |
| Aiming for benchmark accuracy with the many-body expansion RM Richard, KU Lao, JM Herbert Accounts of chemical research 47 (9), 2828-2836, 2014 | 109 | 2014 |
| Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory KU Lao, R Schäffer, G Jansen, JM Herbert Journal of Chemical Theory and Computation 11 (6), 2473-2486, 2015 | 104 | 2015 |
| Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems: The XSAPT family of methods KU Lao, JM Herbert The Journal of Physical Chemistry A 119 (2), 235-252, 2015 | 102 | 2015 |
| Understanding the many-body expansion for large systems. I. Precision considerations RM Richard, KU Lao, JM Herbert The Journal of Chemical Physics 141 (1), 2014 | 97 | 2014 |
| Energy decomposition analysis with a stable charge-transfer term for interpreting intermolecular interactions KU Lao, JM Herbert Journal of Chemical Theory and Computation 12 (6), 2569-2582, 2016 | 85 | 2016 |
| Understanding the many-body expansion for large systems. II. Accuracy considerations KU Lao, KY Liu, RM Richard, JM Herbert The Journal of chemical physics 144 (16), 2016 | 82 | 2016 |
| An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) method KU Lao, JM Herbert The Journal of Chemical Physics 139 (3), 2013 | 79 | 2013 |
| Exceptional sodium-ion storage by an aza-covalent organic framework for high energy and power density sodium-ion batteries MK Shehab, KS Weeraratne, T Huang, KU Lao, HM El-Kaderi ACS Applied Materials & Interfaces 13 (13), 15083-15091, 2021 | 73 | 2021 |
| Rapid computation of intermolecular interactions in molecular and ionic clusters: Self-consistent polarization plus symmetry-adapted perturbation theory JM Herbert, LD Jacobson, KU Lao, MA Rohrdanz Physical Chemistry Chemical Physics 14 (21), 7679-7699, 2012 | 71 | 2012 |
| Accurate intermolecular interactions at dramatically reduced cost: XPol+ SAPT with empirical dispersion KU Lao, JM Herbert The Journal of Physical Chemistry Letters 3 (22), 3241-3248, 2012 | 63 | 2012 |
| Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters X Yu, J Jia, S Xu, KU Lao, MJ Sanford, RK Ramakrishnan, SI Nazarenko, ... Nature communications 9 (1), 2880, 2018 | 60 | 2018 |
| Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion K Carter-Fenk, KU Lao, KY Liu, JM Herbert The journal of physical chemistry letters 10 (11), 2706-2714, 2019 | 58 | 2019 |
| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Rhee Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Chem. Commun 54, 6883-6886, 2018 | 54 | 2018 |
| Achieving the CCSD (T) basis-set limit in sizable molecular clusters: Counterpoise corrections for the many-body expansion RM Richard, KU Lao, JM Herbert The journal of physical chemistry letters 4 (16), 2674-2680, 2013 | 53 | 2013 |
John M. HerbertProfessor of Chemistry & Biochemistry, Ohio State UniversityVerified email at chemistry.ohio-state.edu
