| 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 | 658 | 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 | 579 | 2007 |
| 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 | 528 | 1997 |
| 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 | 216 | 2020 |
| 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 | 184 | 2010 |
| 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 | 122 | 1995 |
| 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 | 97 | 1997 |
| 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, 2001 | 94 | 2001 |
| 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 | 78 | 2014 |
| 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 | 67 | 2013 |
| Computational Chemistry Package for Parallel Computers TL Windus, S Hirata, MT Hackler, Y Zhao, PD Fan, RJ Harrison, M Dupuis, ... Pacific Northwest National Laboratory: Richland, WA, 2005 | 63 | 2005 |
| 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 | 51 | 2016 |
| 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 | 51 | 2007 |
| Site selectivity in the growth of copper islands on Au (111) F Grillo, H Früchtl, SM Francis, NV Richardson New Journal of Physics 13 (1), 013044, 2011 | 46 | 2011 |
| 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 | 46 | 2009 |
| Homochiral Emissive Λ8‐ and Δ8‐[Ir8Pd4]16+ Supramolecular Cages D Rota Martir, D Escudero, D Jacquemin, DB Cordes, AMZ Slawin, ... Chemistry–A European Journal 23 (57), 14358-14366, 2017 | 45 | 2017 |
| New class of metal bound molecular switches involving H-tautomerism GJ Simpson, SWL Hogan, M Caffio, CJ Adams, H Früchtl, T van Mourik, ... Nano letters 14 (2), 634-639, 2014 | 45 | 2014 |
| Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation JA Garrido Torres, B Ramberger, HA Früchtl, R Schaub, G Kresse Physical Review Materials 1 (6), 060803, 2017 | 43 | 2017 |
| STM investigation on the formation of oligoamides on Au {111} by surface-confined reactions of melamine with trimesoyl chloride S Jensen, J Greenwood, HA Fruchtl, CJ Baddeley The Journal of Physical Chemistry C 115 (17), 8630-8636, 2011 | 41 | 2011 |
