William A Goddard
William A Goddard
Professor Chemistry, Materials Science, Applied Physics
Bestätigte E-Mail-Adresse bei caltech.edu
Titel
Zitiert von
Zitiert von
Jahr
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
71771992
DREIDING: a generic force field for molecular simulations
SL Mayo, BD Olafson, WA Goddard
Journal of Physical chemistry 94 (26), 8897-8909, 1990
53651990
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
4278*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
33662001
Charge equilibration for molecular dynamics simulations
AK Rappe, WA Goddard III
The Journal of Physical Chemistry 95 (8), 3358-3363, 1991
29551991
Charge equilibration for molecular dynamics simulations
AK Rappe, WA Goddard III
The Journal of Physical Chemistry 95 (8), 3358-3363, 1991
29551991
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
27732008
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
14972015
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
13452001
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
12222008
Thermal conductivity of carbon nanotubes
J Che, T Cagin, WA Goddard III
Nanotechnology 11 (2), 65, 2000
12182000
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
10891994
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
9042004
Benzene forms hydrogen bonds with water
S Suzuki, PG Green, RE Bumgarner, S Dasgupta, WA Goddard, GA Blake
Science 257 (5072), 942-945, 1992
7331992
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
7322003
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
6992005
Energetics, structure, mechanical and vibrational properties of single-walled carbon nanotubes
G Gao, T Cagin, WA Goddard III
Nanotechnology 9 (3), 184, 1998
6531998
Excited states of H2O using improved virtual orbitals
WA Goddard III
Chemical Physics Letters 3 (6), 414-418, 1969
6421969
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
6272016
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
6262008
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