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The Journal of Physical Chemistry. A|January 17, 2008
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidationKimberly Chenoweth, Adri C T van Duin, William A GoddardPhysical Chemistry Chemical Physics : PCCP|January 11, 2018
The importance of grand-canonical quantum mechanical methods to describe the effect of electrode potential on the stability of intermediates involved in both electrochemical CO2 reduction and hydrogen evolutionHaochen Zhang, William A Goddard, Qi Lu, et al.The Journal of Physical Chemistry. A|March 15, 2012
Development of a ReaxFF reactive force field for ettringite and study of its mechanical failure modes from reactive dynamics simulationsLianchi Liu, Andres Jaramillo-Botero, William A Goddard, et al.Journal of Agricultural and Food Chemistry|October 6, 2021
Synergic Effects in the Activation of the Sweet Receptor GPCR Heterodimer for Various Sweeteners Predicted Using Molecular Metadynamics SimulationsJaewan Jang, Soo-Kyung Kim, Brian Guthrie, et al.The Journal of Physical Chemistry. A|November 10, 2018
Polarizable Charge Equilibration Model for Transition-Metal ElementsSoonho Kwon, Saber Naserifar, Hyuck Mo Lee, et al.The Journal of Physical Chemistry Letters|November 29, 2022
Phosphine Modulation for Enhanced CO2 Capture: Quantum Mechanics Predictions of New MaterialsCharles B Musgrave Iii, Aleksandrs Prokofjevs, William A Goddard IiiBiochemistry|November 11, 2008
The predicted binding site and dynamics of peptide inhibitors to the Methuselah GPCR from Drosophila melanogasterJiyoung Heo, William W Ja, Seymour Benzer, et al.The Journal of Physical Chemistry Letters|May 13, 2022
Predicting the Ion Desolvation Pathway of Lithium Electrolytes and Their Dependence on Chemistry and TemperatureJohn Holoubek, Artem Baskin, John W Lawson, et al.Nano Letters|August 4, 2015
Polysulfide-Blocking Microporous Polymer Membrane Tailored for Hybrid Li-Sulfur Flow BatteriesChangyi Li, Ashleigh L Ward, Sean E Doris, et al.ACS Applied Materials & Interfaces|May 11, 2023
Thermomechanical Properties of Nontoxic Plasticizers for Polyvinyl Chloride Predicted from Molecular Dynamics SimulationsSnigdha S Jagarlapudi, Heaven S Cross, Tridip Das, et al.Pageof 76