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5 results in Authors: Souvik Mitra

Theoretical and Computational Chemistry

Efficient Method for Achieving Electronic Coupling in TEMPO/TEMPO+ System

Souvik Mitra, Clara Zens, Stephan Kupfer, Diddo Diddens

Version 2 posted 04 June 2024

312

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Multimodal investigation of electronic transport in PTMA: Impact on organic radical battery performance

Davis Thomas Daniel, Steffen Oevermann, Souvik Mitra, Katharina Rudolf, Andreas Heuer, Rüdiger-A. Eichel, Martin Winter, Diddo Diddens, Gunther Brunklaus, Josef Granwehr

Version 1 posted 13 April 2023

251

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Theoretical and Computational Chemistry

Electron transfer reaction of TEMPO-based organic radical batteries in different solvent environments: comparing quantum and classical approaches

Souvik Mitra, Andreas Heuer, Diddo Diddens

Version 2 posted 28 August 2023

335

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Theoretical and Computational Chemistry

Machine Learning Models for Predicting Electronic Coupling in TEMPO/TEMPO+ Systems

Souvik Mitra, Clara Zens, Stephan Kupfer, Andreas Heuer, Diddo Diddens

Version 1 posted 16 May 2025

41

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Theoretical and Computational Chemistry

Improving Operator Splitting and Effective Reaction Probability for A Reactive-Step Based Molecular Dynamics Workflow

Souvik Mitra, Diddo Diddens, Andreas Heuer

Version 1 posted 16 May 2025

42

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