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Methods in Molecular Biology (Clifton, N.J.)|September 15, 2012
Structure prediction of G protein-coupled receptors and their ensemble of functionally important conformationsRavinder Abrol, Adam R Griffith, Jenelle K Bray, et al.Journal of the American Chemical Society|January 16, 2024
How Permanent Are the Permanent Macrodipoles of Anthranilamide Bioinspired Molecular Electrets?Moon Young Yang, Omar O'Mari, William A Goddard, et al.Catalysts (Basel, Switzerland)|November 22, 2023
Origins of Enhanced Enantioselectivity in the Pd-Catalyzed Decarboxylative Allylic Alkylation of N-Benzoyl LactamsAlexander Q Cusumano, Tianyi Zhang, William A Goddard, et al.Proceedings of the National Academy of Sciences of the United States of America|January 2, 2003
Quantum-mechanical calculations of the stabilities of fluxional isomers of C4H(7)(+) in solutionJoseph Casanova, David R Kent, William A Goddard, et al.ACS Nano|February 23, 2021
Spatiotemporal Temperature and Pressure in Thermoplasmonic Gold Nanosphere-Water SystemsSarah A Lindley, Qi An, William A Goddard, et al.The Journal of Physical Chemistry. A|April 30, 2011
First principles study of the ignition mechanism for hypergolic bipropellants: N,N,N',N'-tetramethylethylenediamine (TMEDA) and N,N,N',N'-tetramethylmethylenediamine (TMMDA) with nitric acidWei-Guang Liu, Siddharth Dasgupta, Sergey V Zybin, et al.Journal of the American Chemical Society|September 22, 2005
Pd-mediated activation of molecular oxygen in a nonpolar mediumJason M Keith, Robert J Nielsen, Jonas Oxgaard, et al.Physical Review Letters|May 18, 2013
Novel family of chiral-based topological insulators: elemental tellurium under strainLuis A Agapito, Nicholas Kioussis, William A Goddard, et al.Journal of the American Chemical Society|November 7, 2009
Product protection, the key to developing high performance methane selective oxidation catalystsMårten Ahlquist, Robert J Nielsen, Roy A Periana, et al.Proceedings of the National Academy of Sciences of the United States of America|September 23, 2018
First-principles-based reaction kinetics from reactive molecular dynamics simulations: Application to hydrogen peroxide decompositionDaniil V Ilyin, William A Goddard, Julius J Oppenheim, et al.Pageof 76