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The Journal of Chemical Physics|December 3, 2024
Toward robust electronic coupling predictions in redox-active TEMPO/TEMPO+ systemsSouvik Mitra, Clara Zens, Stephan Kupfer, et al.Physical Chemistry Chemical Physics : PCCP|January 5, 2024
Electron transfer reaction of TEMPO-based organic radical batteries in different solvent environments: comparing quantum and classical approachesSouvik Mitra, Andreas Heuer, Diddo DiddensJournal of Chemical Theory and Computation|March 8, 2024
Machine Learning Isotropic g Values of Radical PolymersDavis Thomas Daniel, Souvik Mitra, Rüdiger-A Eichel, et al.Chemsuschem|March 15, 2026
Unraveling Charging and Discharging Processes in Organic Radical-Based Electrodes: A Hierarchical Molecular and Quantum Mechanical ApproachClara Zens, Georgina E Shillito, Christian Friebe, et al.The Journal of Chemical Physics|April 24, 2023
Hydrodynamic interactions in ion transport-Theory and simulationDiddo Diddens, Andreas HeuerThe Journal of Chemical Physics|January 10, 2015
Chain end mobilities in polymer melts--a computational studyDiddo Diddens, Andreas HeuerACS Macro Letters|May 18, 2022
Lithium Ion Transport Mechanism in Ternary Polymer Electrolyte-Ionic Liquid Mixtures: A Molecular Dynamics Simulation StudyDiddo Diddens, Andreas HeuerThe Journal of Physical Chemistry. B|January 4, 2014
Simulation study of the lithium ion transport mechanism in ternary polymer electrolytes: the critical role of the segmental mobilityDiddo Diddens, Andreas HeuerChemsuschem|October 31, 2022
Tailored Charge Transfer Kinetics in Precursors for Organic Radical Batteries: A Joint Synthetic-Theoretical ApproachClara Zens, Christian Friebe, Ulrich S Schubert, et al.Chemsuschem|January 4, 2023
Tailored Charge Transfer Kinetics in Precursors for Organic Radical Batteries: A Joint Synthetic-Theoretical ApproachClara Zens, Christian Friebe, Ulrich S Schubert, et al.Pageof 22