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Direct Dynamics

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2 results in Keywords: Direct Dynamics

Organometallic Chemistry

Mechanistic Molecular Motion of Transition-Metal Mediated Beta-Hydride Transfer: Quasiclassical Trajectories Reveal Dynamically Ballistic, Dynamically Unrelaxed, Two Step, and Concerted Mechanisms

Josh Wheeler, Ryan Carlsen, Daniel Ess

Version 1 posted 23 April 2020

422

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Theoretical and Computational Chemistry

Environmental and Nuclear Quantum Effects on Double Proton Transfer in Guanine-Cytosine Base Pair

Federica Angiolari, Simon Huppert, Fabio Pietrucci, Riccardo Spezia

Version 2 posted 24 May 2023

792

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