William A Goddard
William A Goddard
Professor Chemistry, Materials Science, Applied Physics
Verifierad e-postadress på caltech.edu
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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
AK Rappé, CJ Casewit, KS Colwell, WA Goddard III, WM Skiff
Journal of the American chemical society 114 (25), 10024-10035, 1992
81181992
DREIDING: a generic force field for molecular simulations
SL Mayo, BD Olafson, WA Goddard
Journal of Physical chemistry 94 (26), 8897-8909, 1990
59361990
Starburst dendrimers: molecular‐level control of size, shape, surface chemistry, topology, and flexibility from atoms to macroscopic matter
DA Tomalia, AM Naylor, WA Goddard Iii
Angewandte Chemie International Edition in English 29 (2), 138-175, 1990
4492*1990
ReaxFF: a reactive force field for hydrocarbons
ACT Van Duin, S Dasgupta, F Lorant, WA Goddard
The Journal of Physical Chemistry A 105 (41), 9396-9409, 2001
40662001
Charge equilibration for molecular dynamics simulations
AK Rappe, WA Goddard III
The Journal of Physical Chemistry 95 (8), 3358-3363, 1991
31711991
Charge equilibration for molecular dynamics simulations
AK Rappe, WA Goddard III
The Journal of Physical Chemistry 95 (8), 3358-3363, 1991
31711991
Silicon nanowires as efficient thermoelectric materials
AI Boukai, Y Bunimovich, J Tahir-Kheli, JK Yu, WA Goddard Iii, JR Heath
nature 451 (7175), 168-171, 2008
30102008
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
21212015
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation
K Chenoweth, ACT Van Duin, WA Goddard
The Journal of Physical Chemistry A 112 (5), 1040-1053, 2008
15212008
Catalysis research of relevance to carbon management: progress, challenges, and opportunities
H Arakawa, M Aresta, JN Armor, MA Barteau, EJ Beckman, AT Bell, ...
Chemical reviews 101 (4), 953-996, 2001
14172001
Thermal conductivity of carbon nanotubes
J Che, T Cagin, WA Goddard III
Nanotechnology 11 (2), 65, 2000
13172000
Accurate first principles calculation of molecular charge distributions and solvation energies from ab initio quantum mechanics and continuum dielectric theory
DJ Tannor, B Marten, R Murphy, RA Friesner, D Sitkoff, A Nicholls, ...
Journal of the American Chemical Society 116 (26), 11875-11882, 1994
11401994
The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties
X Xu, WA Goddard
Proceedings of the National Academy of Sciences 101 (9), 2673-2677, 2004
9132004
Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction
M Li, Z Zhao, T Cheng, A Fortunelli, CY Chen, R Yu, Q Zhang, L Gu, ...
Science 354 (6318), 1414-1419, 2016
8562016
ReaxFFSiO reactive force field for silicon and silicon oxide systems
ACT Van Duin, A Strachan, S Stewman, Q Zhang, X Xu, WA Goddard
The Journal of Physical Chemistry A 107 (19), 3803-3811, 2003
8032003
Benzene forms hydrogen bonds with water
S Suzuki, PG Green, RE Bumgarner, S Dasgupta, WA Goddard, GA Blake
Science 257 (5072), 942-945, 1992
7741992
Linear artificial molecular muscles
Y Liu, AH Flood, PA Bonvallet, SA Vignon, BH Northrop, HR Tseng, ...
Journal of the American Chemical Society 127 (27), 9745-9759, 2005
7272005
Covalent organic frameworks as exceptional hydrogen storage materials
SS Han, H Furukawa, OM Yaghi, WA Goddard Iii
Journal of the American Chemical Society 130 (35), 11580-11581, 2008
7032008
Energetics, structure, mechanical and vibrational properties of single-walled carbon nanotubes
G Gao, T Cagin, WA Goddard III
Nanotechnology 9 (3), 184, 1998
7011998
Excited States of H2O using improved virtual orbitals
WA Goddard III
Chemical Physics Letters 3 (6), 414-418, 1969
6671969
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Artiklar 1–20