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Theresa L. Windus
Theresa L. Windus
Distinguished Professor of Chemistry at Iowa State University; Senior Scientist at Ames National Lab
Verified email at iastate.edu
Title
Cited by
Cited by
Year
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
237511993
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
45782010
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
35732007
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
24021998
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
19542019
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
8742000
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
6582020
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
5622007
Jr JAM
MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ...
General atomic and molecular electronic structure system. J. Comput. Chem 14 …, 1993
3541993
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
3232006
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
2382004
Gamess
MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ...
Quantum Chem. Prog. Exchange Bull 10, 52-54, 1990
2301990
NWChem
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
American Institute of Physics, 2020
2162020
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
1552007
J. Comput. Chem.
MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ...
J. Comput. Chem 14, 1347-1363, 1993
1511993
together with Dupuis, M.; Montgomery
KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, S Koseki, ...
J. Comput. Chem 14, 1347, 1993
1481993
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
1352010
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
1312005
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
1252003
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
1212014
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