William A. Goddard

Research topics

• Advanced Chemical Physics Studies · 1 paper
• Advanced NMR Techniques and Applications · 1 paper
• Physics of Superconductivity and Magnetism · 1 paper
• Catalytic Processes in Materials Science · 1 paper
• Catalysis and Oxidation Reactions · 1 paper
• Advanced Combustion Engine Technologies · 1 paper

Frequent co-authors

• Anthony K. Rappé · 1 paper
• C. J. Casewit · 1 paper
• K. S. Colwell · 1 paper
• W. M. Skiff · 1 paper
• Kimberly Chenoweth · 1 paper
• Adri C. T. van Duin · 1 paper

Papers

1. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulationsJournal of the American Chemical Society · 1992 · 10,667 citations

   ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTUFF, a full periodic table force field for molecular mechanics and molecular dynamics simulationsA. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard III, and W. M. SkiffCite this: J. Am. Chem. Soc. 1992, 114,…

2. ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon OxidationThe Journal of Physical Chemistry A · 2008 · 2,740 citations

   To investigate the initial chemical events associated with high-temperature gas-phase oxidation of hydrocarbons, we have expanded the ReaxFF reactive force field training set to include additional transition states and chemical reactivity of systems relevant to these reactions and optimized the…