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The Journal of Chemical Physics|May 6, 2010
Generalized valence bond wave functions in quantum Monte CarloAmos G Anderson, William A GoddardJournal of Computational Chemistry|May 4, 2007
Efficient algorithm for "on-the-fly" error analysis of local or distributed serially correlated dataDavid R Kent, Richard P Muller, Amos G Anderson, et al.The Journal of Chemical Physics|January 11, 2005
Energetics of hydrogen coverage on group VIII transition metal surfaces and a kinetic model for adsorption/desorptionFrancesco Faglioni, William A GoddardProceedings of the National Academy of Sciences of the United States of America|November 20, 2002
Peroxone chemistry: formation of H2O3 and ring-(HO2)(HO3) from O3/H2O2Xin Xu, William A GoddardThe Journal of Chemical Physics|February 16, 2015
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation modelRavishankar Sundararaman, William A GoddardJournal of Chemical Theory and Computation|December 24, 2024
A General Nonbonded Force Field Based on Accurate Quantum Mechanics Calculations for Elements H-La and Hf-RnWenjia Luo, William A GoddardPhysical Review Letters|September 19, 2015
Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved DuctilityQi An, William A GoddardThe Journal of Physical Chemistry Letters|September 28, 2019
Anomalies in Supercooled Water at ∼230 K Arise from a 1D Polymer to 2D Network Topological TransformationSaber Naserifar, William A GoddardJournal of the American Chemical Society|September 1, 2005
The isomerization equilibrium between cis and trans chloride ruthenium olefin metathesis catalysts from quantum mechanics calculationsDiego Benitez, William A GoddardProceedings of the National Academy of Sciences of the United States of America|February 26, 2004
From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical propertiesXin Xu, William A GoddardPageof 71