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The Journal of Physical Chemistry. A|June 23, 2006
Cluster phase chemistry: gas-phase reactions of anionic sodium salts of dicarboxylic acid clusters with water moleculesHugh I Kim, William A Goddard, J L BeauchampThe Journal of Chemical Physics|July 2, 2024
A dynamically equivalent atomistic electrochemical paradigm for the larger-scale experimentsAsghar Aryanfar, Trina Dhara, Sunando DasGupta, et al.The Journal of Chemical Physics|October 24, 2023
Quantum mechanics based non-bonded force field functions for use in molecular dynamics simulations of materials and systems: The nitrogen and oxygen columnsPeng Geng, Sergey Zybin, Saber Naserifar, et al.The Journal of Physical Chemistry Letters|January 2, 2016
Accurate Ab Initio Quantum Mechanics Simulations of Bi2Se3 and Bi2Te3 Topological Insulator SurfacesJason M Crowley, Jamil Tahir-Kheli, William A GoddardJournal of Computational Chemistry|October 24, 2002
Dynamic Charge Equilibration-Morse stretch force field: application to energetics of pure silica zeolitesJan Sefcik, Ersan Demiralp, Tahir Cagin, et al.Journal of the American Chemical Society|November 28, 2018
QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia SynthesisQi An, Yidi Shen, Alessandro Fortunelli, et al.Nature Communications|August 8, 2022
G protein coupling and activation of the metabotropic GABAB heterodimerMoon Young Yang, Soo-Kyung Kim, William A GoddardJournal of the American Chemical Society|October 21, 2004
Mechanism of the Stoddart-Heath bistable rotaxane molecular switchWei-Qiao Deng, Richard P Muller, William A GoddardProtein Science : a Publication of the Protein Society|September 25, 2004
Selectivity and specificity of substrate binding in methionyl-tRNA synthetaseDeepshikha Datta, Nagarajan Vaidehi, Deqiang Zhang, et al.Journal of Chemical Theory and Computation|May 15, 2013
Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded CompelexesHyunjun Ji, Yihan Shao, William A Goddard, et al.Pageof 76