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Theoretical and Computational Chemistry

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Mariana Telles do Casal

3 results in Authors: Mariana Telles do Casal

Theoretical and Computational Chemistry

Modelling MR-TADF emitters: excited-state decay rate constants and wavefunction descriptors

Mariana Telles do Casal, Youssef Badawy, Daniel Escudero

Version 1 posted 11 July 2024

425

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Theoretical and Computational Chemistry

Surface hopping modeling of charge and energy transfer in complex environments

Josene M. Toldo, Mariana Telles do Casal, Elizete Ventura, Silmar Andrade do Monte, Mario Barbatti

Version 1 posted 04 January 2023

512

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1

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Theoretical and Computational Chemistry

ULaMDyn: Enhancing Excited-State Dynamics Analysis Through Streamlined Unsupervised Learning

Max Pinheiro Jr., Matheus O. Bispo, Rafael S. Mattos, Mariana Telles do Casal, Bidhan Chandra Garain, Josene M. Toldo, Saikat Mukherjee, Mario Barbatti

Version 1 posted 21 October 2024

224

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