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The Journal of Physical Chemistry. A|March 8, 2019
Diagnosing the Impact of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and PyrolysisChristopher D Fu, Yi He, Jim PfaendtnerChembiochem : a European Journal of Chemical Biology|March 14, 2024
Molecular Driving Forces in the Self-Association of Silaffin Peptide R5 from MD SimulationsCoco M Mao, Janani Sampath, Jim PfaendtnerThe Journal of Physical Chemistry. A|December 23, 2015
New Approach for Investigating Reaction Dynamics and Rates with Ab Initio CalculationsKelly L Fleming, Pratyush Tiwary, Jim PfaendtnerThe Journal of Physical Chemistry. A|September 15, 2006
Quantum chemical investigation of low-temperature intramolecular hydrogen transfer reactions of hydrocarbonsJim Pfaendtner, Xinrui Yu, Linda J BroadbeltThe Journal of Chemical Physics|December 2, 2021
Probing the thermodynamics and kinetics of ethylene carbonate reduction at the electrode-electrolyte interface with molecular simulationsLuke D Gibson, Jim Pfaendtner, Christopher J MundyThe Journal of Physical Chemistry. B|April 9, 2015
The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquidsK G Sprenger, Vance W Jaeger, Jim PfaendtnerBiomacromolecules|May 4, 2023
Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and NanotubesMingfei Zhao, Shuai Zhang, Renyu Zheng, et al.The Journal of Physical Chemistry. B|November 22, 2022
Quick and Accurate Estimates of Mutation Effects on Transition-State Stabilization of Enzymes from Molecular Simulations with Restrained Transition StatesTucker Burgin, Jim Pfaendtner, David A C BeckLangmuir : the ACS Journal of Surfaces and Colloids|June 4, 2026
Design Rules for Selective Peptide Amphiphile-Gold Nanoparticle Interactions from Atomistic SimulationsChristopher Kang, Abigail Gringeri, Abigail S Knight, et al.The Journal of Chemical Physics|January 9, 2017
Determining energy barriers and selectivities of a multi-pathway system with infrequent metadynamicsChristopher D Fu, Luiz F L Oliveira, Jim PfaendtnerPageof 23