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Physical Chemistry Chemical Physics : PCCP|February 26, 2015
X-ray spectroscopy as a probe for lithium polysulfide radicalsTod A Pascal, C D Pemmaraju, David PrendergastNanoscale|February 22, 2023
Investigation of local distortion effects on X-ray absorption of ferroelectric perovskites from first principles simulationsPedram Abbasi, David P Fenning, Tod A PascalThe Journal of Chemical Physics|July 23, 2026
Practical considerations for finite concentration molecular dynamics simulationsXiaoxu Ruan, Fabrice Roncoroni, David Prendergast, 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 GoddardPageof 76