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Journal of the American Chemical Society|April 10, 2020
Si-Doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and TemperaturesQi An, Molly Mcdonald, Alessandro Fortunelli, et al.Journal of the American Chemical Society|July 9, 2020
Reaction Mechanism, Origins of Enantioselectivity, and Reactivity Trends in Asymmetric Allylic Alkylation: A Comprehensive Quantum Mechanics Investigation of a C(sp3)-C(sp3) Cross-CouplingAlexander Q Cusumano, Brian M Stoltz, William A GoddardPhysical Chemistry Chemical Physics : PCCP|March 31, 2023
Topology induced crossover between Langevin, subdiffusion, and Brownian diffusion regimes in supercooled waterKaicheng Zhu, Saber Naserifar, William A Goddard, et al.Journal of the American Chemical Society|January 6, 2025
Metabotropic GABAB Receptor Activation Induced by G Protein CouplingMoon Young Yang, Soo-Kyung Kim, William A GoddardJournal of Chemical Information and Modeling|June 5, 2012
3D structure prediction of TAS2R38 bitter receptors bound to agonists phenylthiocarbamide (PTC) and 6-n-propylthiouracil (PROP)Jun Tan, Ravinder Abrol, Bartosz Trzaskowski, et al.Journal of Molecular Graphics & Modelling|August 31, 2007
Prediction of the 3-D structure of rat MrgA G protein-coupled receptor and identification of its binding siteJiyoung Heo, Nagarajan Vaidehi, John Wendel, et al.Proceedings of the National Academy of Sciences of the United States of America|June 14, 2017
Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2Hai Xiao, William A Goddard, Tao Cheng, et al.Journal of the American Chemical Society|March 31, 2005
Molecular dynamics simulation study on a monolayer of half [2]rotaxane self-assembled on Au(111)Yun Hee Jang, Seung Soon Jang, William A GoddardThe Journal of Chemical Physics|July 23, 2005
Conformations and charge transport characteristics of biphenyldithiol self-assembled-monolayer molecular electronic devices: a multiscale computational studyYong-Hoon Kim, Seung Soon Jang, William A GoddardThe Journal of Physical Chemistry. B|May 28, 2010
Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulationsShiang-Tai Lin, Prabal K Maiti, William A GoddardPageof 76