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William A. Goddard
Researcher at California Institute of Technology
Publications - 1743
Citations - 141194
William A. Goddard is an academic researcher from California Institute of Technology. The author has contributed to research in topics: Catalysis & Ab initio. The author has an hindex of 151, co-authored 1653 publications receiving 123322 citations. Previous affiliations of William A. Goddard include Norwegian University of Science and Technology & Xiamen University.
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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
TL;DR: In this article, the Universal force field (UFF) is described, where the force field parameters are estimated using general rules based only on the element, its hybridization, and its connectivity.
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DREIDING: A generic force field for molecular simulations
TL;DR: The DREIDING force field as discussed by the authors uses general force constants and geometry parameters based on simple hybridization considerations rather than individual force constants or geometric parameters that depend on the particular combination of atoms involved in the bond, angle, or torsion terms.
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ReaxFF: A Reactive Force Field for Hydrocarbons
TL;DR: In this paper, a force field for large-scale reactive chemical systems (1000s of atoms) is proposed. But the force field does not have Coulomb and Morse potentials to describe nonbond interactions between all atoms.
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Starburst Dendrimers: Molecular-Level Control of Size, Shape, Surface Chemistry, Topology, and Flexibility from Atoms to Macroscopic Matter
TL;DR: Starburst dendrimers are three-dimensional, highly ordered oligomeric and polymeric compounds formed by reiterative reaction sequences starting from smaller molecules—“initiator cores” such as ammonia or pentaerythritol.
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Charge equilibration for molecular dynamics simulations
TL;DR: In this paper, an approach for predicting charge distributions in molecules for use in molecular dynamics simulations is presented, where an atomic chemical potential is constructed by using these quantities plus shielded electrostatic interactions between all charges.