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Inorganic Chemistry

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Theoretical and Computational Chemistry

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Excited-State Dynamics

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5 results in Keywords: Excited-State Dynamics

Theoretical and Computational Chemistry

Machine learning the Hohenberg-Kohn map to molecular excited states

Yuanming Bai, Leslie Vogt-Maranto, Mark Tuckerman, William Glover

Version 1 posted 19 September 2022

304

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Physical Chemistry

Excited-State Dynamics in the RNA Nucleotide Uridine 5’-Monophosphate Investigated by Femtosecond Broadband Transient Absorption Spectroscopy

Matthew M. Brister, Carlos Crespo-Hernández

Version 1 posted 19 March 2019

834

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Theoretical and Computational Chemistry

INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations

Vale Cofer-Shabica, Maximilian Menger, Qi Ou, Yihan Shao, Joseph Subotnik, Shirin Faraji

Version 1 posted 02 March 2022

176

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1

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Theoretical and Computational Chemistry

Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning

Bhaskar Rana, Edward G. Hohenstein, Todd J. Martínez

Version 1 posted 05 October 2023

403

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Theoretical and Computational Chemistry

Computational Screening of Photodynamics of Transition-Metal Complexes

Nóra Kovács, Patrick Zobel

Version 1 posted 03 October 2023

93

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