| General atomic and molecular electronic structure system MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... Journal of computational chemistry 14 (11), 1347-1363, 1993 | 23807 | 1993 |
| NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations M Valiev, EJ Bylaska, N Govind, K Kowalski, TP Straatsma, HJJ Van Dam, ... Computer Physics Communications 181 (9), 1477-1489, 2010 | 4565 | 2010 |
| Basis set exchange: a community database for computational sciences KL Schuchardt, BT Didier, T Elsethagen, L Sun, V Gurumoorthi, J Chase, ... Journal of chemical information and modeling 47 (3), 1045-1052, 2007 | 3606 | 2007 |
| 6-31G* basis set for atoms K through Zn VA Rassolov, JA Pople, MA Ratner, TL Windus The Journal of chemical physics 109 (4), 1223-1229, 1998 | 2412 | 1998 |
| New basis set exchange: An open, up-to-date resource for the molecular sciences community BP Pritchard, D Altarawy, B Didier, TD Gibson, TL Windus Journal of chemical information and modeling 59 (11), 4814-4820, 2019 | 1995 | 2019 |
| High performance computational chemistry: An overview of NWChem a distributed parallel application RA Kendall, E Aprà, DE Bernholdt, EJ Bylaska, M Dupuis, GI Fann, ... Computer Physics Communications 128 (1-2), 260-283, 2000 | 875 | 2000 |
| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 677 | 2020 |
| NWChem, a computational chemistry package for parallel computers, Version 5.1 EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007 | 573 | 2007 |
| A component architecture for high-performance scientific computing DE Bernholdt, BA Allan, R Armstrong, F Bertrand, K Chiu, TL Dahlgren, ... The International Journal of High Performance Computing Applications 20 (2 …, 2006 | 324 | 2006 |
| NWCHEM, a computational chemistry package for parallel computers, Version 4.6 TP Straatsma, E Apra, TL Windus, EJ Bylaska, W de Jong, S Hirata, ... Pacific Northwest National Laboratory, Richland, Washington, 99352-0999, 2004 | 238 | 2004 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 199 | 2020 |
| J. Comput. Chem. MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... J. Comput. Chem 14, 1347-1363, 1993 | 188 | 1993 |
| A Direct Dynamics Trajectory Study of F- + CH3OOH Reactive Collisions Reveals a Major Non-IRC Reaction Path JG López, G Vayner, U Lourderaj, SV Addepalli, S Kato, WA DeJong, ... Journal of the American Chemical Society 129 (32), 9976-9985, 2007 | 155 | 2007 |
| together with Dupuis, M.; Montgomery KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, S Koseki, ... J. Comput. Chem 14, 1347, 1993 | 149 | 1993 |
| Uncontracted Rys quadrature implementation of up to G functions on graphical processing units A Asadchev, V Allada, J Felder, BM Bode, MS Gordon, TL Windus Journal of Chemical Theory and Computation 6 (3), 696-704, 2010 | 141 | 2010 |
| Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: density functional studies with relativistic effective core potentials WA De Jong, E Aprà, TL Windus, JA Nichols, RJ Harrison, KE Gutowski, ... The Journal of Physical Chemistry A 109 (50), 11568-11577, 2005 | 132 | 2005 |
| A new, self-contained asymptotic correction scheme to exchange-correlation potentials for time-dependent density functional theory S Hirata, CG Zhan, E Aprà, TL Windus, DA Dixon The Journal of Physical Chemistry A 107 (47), 10154-10158, 2003 | 127 | 2003 |
| The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory U Lourderaj, R Sun, SC Kohale, GL Barnes, WA De Jong, TL Windus, ... Computer Physics Communications 185 (3), 1074-1080, 2014 | 122 | 2014 |
| Structural trends in silicon atranes MW Schmidt, TL Windus, MS Gordon Journal of the American Chemical Society 117 (28), 7480-7486, 1995 | 120 | 1995 |
| Exascale applications: skin in the game F Alexander, A Almgren, J Bell, A Bhattacharjee, J Chen, P Colella, ... Philosophical Transactions of the Royal Society A 378 (2166), 20190056, 2020 | 114 | 2020 |
