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Catalysis

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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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Keywords

Direct Dynamics Trajectory Study

Authors

2 results in Keywords: Direct Dynamics Trajectory Study

Theoretical and Computational Chemistry

Determination of Kinetic Properties in Unimolecular Dissociation of Complex Systems from Graph-Theory Based Analysis of an Ensemble of Reactive Trajectories.

Ariel F. Perez-Mellor, Riccardo Spezia

Version 2 posted 13 September 2021

420

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Catalysis with a Skip: Dynamically Coupled Addition, Proton Transfer, and Elimination During Au- and Pd-Catalyzed Diol Cyclization

Matthew Teynor, Windsor Scott, Daniel Ess

Version 1 posted 31 May 2021

173

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