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Faraday Discussions|September 17, 2019
Direct dynamics analysis of the cationic Cp*(PMe3)Ir(CH3) methane C-H activation mechanismRyan Carlsen, Jordan R Jenkins, Daniel H EssDalton Transactions (Cambridge, England : 2003)|June 4, 2020
Mechanistic molecular motion of transition-metal mediated β-hydrogen transfer: quasiclassical trajectories reveal dynamically ballistic, dynamically unrelaxed, two step, and concerted mechanismsJosh I Wheeler, Ryan Carlsen, Daniel H EssJournal of the American Chemical Society|August 2, 2018
Dynamical Mechanism May Avoid High-Oxidation State Ir(V)-H Intermediate and Coordination Complex in Alkane and Arene C-H Activation by Cationic Ir(III) PhosphineRyan Carlsen, Nathan Wohlgemuth, Lily Carlson, et al.The Journal of Physical Chemistry. A|May 16, 2020
Machine Learning Analysis of Direct Dynamics Trajectory Outcomes for Thermal Deazetization of 2,3-Diazabicyclo[2.2.1]hept-2-eneNick Rollins, Samuel L Pugh, Steven M Maley, et al.Accounts of Chemical Research|November 11, 2021
Quasiclassical Direct Dynamics Trajectory Simulations of Organometallic ReactionsDaniel H EssThe Journal of Organic Chemistry|January 15, 2009
Distortion, interaction, and conceptual DFT perspectives of MO4-alkene (M = Os, Re, Tc, Mn) cycloadditionsDaniel H EssPhysical Chemistry Chemical Physics : PCCP|May 21, 2021
Machine learning classification of disrotatory IRC and conrotatory non-IRC trajectory motion for cyclopropyl radical ring openingSteven M Maley, Jesse Melville, Spencer Yu, et al.Inorganic Chemistry|May 18, 2012
Metal-mediated dihydrogen activation. What determines the transition-state geometry?Deepa Devarajan, Daniel H EssJournal of the American Chemical Society|March 23, 2023
Direct Dynamics Trajectories Demonstrate Dynamic Matching and Nonstatistical Radical Pair Intermediates during Fe-Oxo-Mediated C-H Functionalization ReactionsJyothish Joy, Daniel H EssJournal of the American Chemical Society|December 18, 2025
Radical Clock Substrates Measure Nonstatistical Dynamical Effects in Cytochrome P450-Mediated C-H Functionalization ReactionsJyothish Joy, Daniel H EssPageof 14