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Journal of Computational Chemistry|March 20, 2015
Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic materialJose L Mendoza-Cortes, Qi An, William A Goddard, et al.The Journal of Physical Chemistry Letters|July 7, 2025
Ion Speciation and Mobility in Solid Polymer Electrolytes: Insights from Molecular Dynamics SimulationsJihye Park, Won June Kim, William A Goddard, et al.Heliyon|January 15, 2025
Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance studyElahe Torabi, Amir Kazemi, Mohsen Tamtaji, et al.Nano Letters|March 15, 2017
Liquid Sulfur Impregnation of Microporous Carbon Accelerated by Nanoscale Interfacial EffectsTod A Pascal, Irune Villaluenga, Kevin H Wujcik, et al.ACS Nano|August 9, 2022
Curvature-Selective Nanocrystal Surface Ligation Using Sterically-Encumbered Metal-Coordinating LigandsYufei Wang, Amanda A Chen, Krista P Balto, et al.Proteins|April 14, 2011
Predicted structures of agonist and antagonist bound complexes of adenosine A3 receptorSoo-Kyung Kim, Lindsay Riley, Ravinder Abrol, et al.Journal of the American Chemical Society|March 25, 2011
Phosphoramidite gold(I)-catalyzed diastereo- and enantioselective synthesis of 3,4-substituted pyrrolidinesAna Z González, Diego Benitez, Ekaterina Tkatchouk, et al.Journal of the American Chemical Society|September 29, 2021
Predicted Structure of Fully Activated Tas1R3/1R3' Homodimer Bound to G Protein and Natural Sugars: Structural Insights into G Protein Activation by a Class C Sweet Taste Homodimer with Natural SugarsAmirhossein Mafi, Soo-Kyung Kim, Keng C Chou, et al.Journal of the American Chemical Society|August 27, 2010
Mechanistic study of gold(I)-catalyzed intermolecular hydroamination of allenesZ Jane Wang, Diego Benitez, Ekaterina Tkatchouk, et al.Nature Communications|May 9, 2020
Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanicsMd Delowar Hossain, Yufeng Huang, Ted H Yu, et al.Pageof 76