Quasiclassical Direct Dynamics Trajectory Simulations of Organometallic Reactions
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602, United States
Funder
US National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
General Medicine,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.1c00575
Reference77 articles.
1. 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) Phosphine
2. Direct Dynamics Trajectories Reveal Nonstatistical Coordination Intermediates and Demonstrate that σ and π-Coordination Are Not Required for Rhenium(I)-Mediated Ethylene C–H Activation
3. Isotope Effects in C−H Bond Activation Reactions by Transition Metals
4. Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C−H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates
5. Formation and reactivity of organometallic alkane complexes
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