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William A Goddard III
William A Goddard III
Professor Chemistry, Materials Science, Applied Physics
Potvrđena adresa e-pošte na caltech.edu - Početna stranica
Naslov
Citirano
Citirano
Godina
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
108041992
DREIDING: a generic force field for molecular simulations
SL Mayo, BD Olafson, WA Goddard
Journal of Physical chemistry 94 (26), 8897-8909, 1990
70461990
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
60582001
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
4769*1990
Charge equilibration for molecular dynamics simulations
AK Rappe, WA Goddard III
The Journal of Physical Chemistry 95 (8), 3358-3363, 1991
37891991
Charge equilibration for molecular dynamics simulations
AK Rappe, WA Goddard III
The Journal of Physical Chemistry 95 (8), 3358-3363, 1991
37891991
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
34232008
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
30462015
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
24082008
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
16302001
Thermal conductivity of carbon nanotubes
J Che, T Cagin, WA Goddard III
Nanotechnology 11 (2), 65, 2000
15022000
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
13942016
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
12161994
The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties
X Xu, WA Goddard III
Proceedings of the National Academy of Sciences 101 (9), 2673-2677, 2004
11132004
High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting
F Yu, H Zhou, Y Huang, J Sun, F Qin, J Bao, WA Goddard III, S Chen, ...
Nature communications 9 (1), 2551, 2018
10602018
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
10422003
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
9242008
Benzene forms hydrogen bonds with water
S Suzuki, PG Green, RE Bumgarner, S Dasgupta, WA Goddard III, ...
Science 257 (5072), 942-945, 1992
8431992
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
7902005
Energetics, structure, mechanical and vibrational properties of single-walled carbon nanotubes
G Gao, T Cagin, WA Goddard III
Nanotechnology 9 (3), 184, 1998
7761998
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