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The Journal of Physical Chemistry. B|July 14, 2025
Quantifying the Effect of Intermonomer Improper Angles on Electron Delocalization in Conjugated PolymersRobert S Ramji, Andrew T Kleinschmidt, Shruti Bhamidipati, et al.Nature Communications|December 17, 2014
Theoretical predictions for hot-carrier generation from surface plasmon decayRavishankar Sundararaman, Prineha Narang, Adam S Jermyn, et al.Journal of Molecular Biology|March 14, 2003
Protein dynamics in a family of laboratory evolved thermophilic enzymesPatrick L Wintrode, Deqiang Zhang, Nagarajan Vaidehi, et al.Physical Chemistry Chemical Physics : PCCP|May 16, 2013
Dependence on the structure and surface polarity of ZnS photocatalytic activities of water splitting: first-principles calculationsXiangying Meng, Hai Xiao, Xiaohong Wen, et al.Physical Chemistry Chemical Physics : PCCP|January 10, 2017
Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cellsTao Cheng, William A Goddard, Qi An, et al.QRB Discovery|August 2, 2023
Predicted structure of fully activated human bitter taste receptor TAS2R4 complexed with G protein and agonistsMoon Young Yang, Amirhossein Mafi, Soo-Kyung Kim, et al.Proceedings of the National Academy of Sciences of the United States of America|December 18, 2013
SuperBiHelix method for predicting the pleiotropic ensemble of G-protein-coupled receptor conformationsJenelle K Bray, Ravinder Abrol, William A Goddard, et al.ACS Applied Materials & Interfaces|November 22, 2021
Order-Tuned Deformability of Bismuth Telluride Semiconductors: An Energy-Dissipation Strategy for Large Fracture StrainBen Huang, Guodong Li, Bo Duan, et al.The Journal of Physical Chemistry. B|May 6, 2011
Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamicsSi-ping Han, Adri C T van Duin, William A Goddard, et al.Protein Science : a Publication of the Protein Society|February 22, 2005
Test of the Binding Threshold Hypothesis for olfactory receptors: explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912-93Patrick Hummel, Nagarajan Vaidehi, Wely B Floriano, et al.Pageof 76