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Herbert Fruchtl
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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
5782007
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
5642007
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
5642007
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
5202020
The impact of the resolution of the identity approximate integral method on modern ab initio algorithm development
RA Kendall, HA Früchtl
Theoretical Chemistry Accounts 97, 158-163, 1997
4961997
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
2392004
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
2392004
NWChem
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
American Institute of Physics, 2020
1872020
Coupling epitaxy, chemical bonding, and work function at the local scale in transition metal-supported graphene
B Wang, M Caffio, C Bromley, H Früchtl, R Schaub
Acs Nano 4 (10), 5773-5782, 2010
1782010
Parallel computational chemistry made easier: The development of NWChem
DE Bernholdt, E Apra, HA Früchtl, MF Guest, RJ Harrison, RA Kendall, ...
International Journal of Quantum Chemistry 56 (S29), 475-483, 1995
1211995
NWChem, A computational chemistry package for parallel computers, Version 4.1
RJ Harrison, JA Nichols, TP Straatsma, M Dupuis, EJ Bylaska, GI Fann, ...
Pacific Northwest National Laboratory, Richland, Washington, 99352-0999, 2000
992000
An implementation of RI–SCF on parallel computers
HA Früchtl, RA Kendall, RJ Harrison, KG Dyall
International journal of quantum chemistry 64 (1), 63-69, 1997
931997
Passivation of copper: Benzotriazole films on Cu (111)
F Grillo, DW Tee, SM Francis, HA Früchtl, NV Richardson
The Journal of Physical Chemistry C 118 (16), 8667-8675, 2014
702014
Initial stages of benzotriazole adsorption on the Cu (111) surface
F Grillo, DW Tee, SM Francis, H Früchtl, NV Richardson
Nanoscale 5 (12), 5269-5273, 2013
652013
Computational Chemistry Package for Parallel Computers
TL Windus, S Hirata, MT Hackler, Y Zhao, PD Fan, RJ Harrison, M Dupuis, ...
Version, 2006
632006
Computational Chemistry Package for Parallel Computers
TL Windus, S Hirata, MT Hackler, Y Zhao, PD Fan, RJ Harrison, M Dupuis, ...
Version, 2006
632006
NWChem
EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ...
A Computational Chemistry Package for Parallel Computers, Version 5 (1), 2007
512007
Self-assembled monolayers of oligophenylenecarboxylic acids on silver formed at the liquid–solid interface
H Aitchison, H Lu, SWL Hogan, H Früchtl, I Cebula, M Zharnikov, ...
Langmuir 32 (37), 9397-9409, 2016
482016
NWChem, A Computational Chemistry Package for Parallel Computers
RJ Harrison, JA Nichols, TP Straatsma, M Dupuis, EJ Bylaska, GI Fann, ...
Pacific Northwest National Laboratory, Richland, WA, 2000
472000
Coupling of triamines with diisocyanates on Au (111) leads to the formation of polyurea networks
S Jensen, H Früchtl, CJ Baddeley
Journal of the American Chemical Society 131 (46), 16706-16713, 2009
452009
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Articles 1–20