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Physical Chemistry

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Theoretical and Computational Chemistry

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Gregory Medders

2 results in Authors: Gregory Medders

Theoretical and Computational Chemistry

Methods to Calculate Electronic Excited-state Dynamics For Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase

Hsing-Ta Chen, Junhan Chen, Vale Cofer-Shabica, Zeyu Zhou, Vishikh Athavale, Gregory Medders, Maximilian Menger, Joseph Subotnik, Zuxin Jin

Version 2 posted 15 February 2022

394

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Theoretical and Computational Chemistry

The Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model

Thomas E. Gartner III, Kelly M. Hunter, Eleftherios Lambros, Alessandro Caruso, Marc Riera, Gregory R. Medders, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti, Francesco Paesani

Version 2 posted 25 February 2022

1,179

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