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The Journal of Chemical Physics|November 10, 2018
The quantum mechanics-based polarizable force field for water simulationsSaber Naserifar, William A GoddardThe Journal of Chemical Physics|August 31, 2004
The extended Perdew-Burke-Ernzerhof functional with improved accuracy for thermodynamic and electronic properties of molecular systemsXin Xu, William A GoddardChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 6, 2006
Water formation on Pt and Pt-based alloys: a theoretical description of a catalytic reactionTimo Jacob, William A GoddardThe Journal of Nutrition|May 22, 2007
3-Dimensional structures of G protein-coupled receptors and binding sites of agonists and antagonistsWilliam A Goddard, Ravinder AbrolThe Journal of Chemical Physics|January 3, 2013
On the absolute thermodynamics of water from computer simulations: a comparison of first-principles molecular dynamics, reactive and empirical force fieldsTod A Pascal, Daniel Schärf, Yousung Jung, et al.The Journal of Physical Chemistry Letters|August 22, 2015
New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles SimulationsThomas D Kühne, Tod A Pascal, Efthimios Kaxiras, et al.The Journal of Physical Chemistry Letters|August 20, 2015
Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to HydrophilicTod A Pascal, Shiang-Tai Lin, William Goddard, et al.The Journal of Physical Chemistry. B|December 22, 2006
Solvent quality changes the structure of G8 PAMAM dendrimer, a disagreement with some experimental interpretationsPrabal K Maiti, William A GoddardThe Journal of Chemical Physics|May 6, 2010
Generalized valence bond wave functions in quantum Monte CarloAmos G Anderson, William A GoddardJournal of the American Chemical Society|January 13, 2009
Mechanism for activation of molecular oxygen by cis- and trans-(pyridine)2Pd(OAc)H: Pd(0) versus direct insertionJason M Keith, William A GoddardPageof 76