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5 results in Keywords: electronic coupling

Theoretical and Computational Chemistry

A Machine Learning Approach to Calculate Electronic Couplings between Quasi-Diabatic Molecular Orbitals: The Case of DNA

Xin Bai, Xin Guo, Linjun Wang

Version 1 posted 13 September 2021

252

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Materials Science

Thermochromic AIE Dual Phosphorescence via Temperature-Dependent sp3-Linked Donor-Acceptor Electronic Coupling

Tao Wang, Zhubin Hu, Xiancheng Nie, Linkun Huang, Hui Miao, Xiang Sun, Guoqing Zhang

Version 3 posted 18 December 2020

1,383

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Inorganic Chemistry

Controlling intramolecular and intermolecular electronic coupling of radical ligands in a series of cobaltoviologen complexes

Brice J. O. Kessler, Iram F. Mansoor, Derek I. Wozniak, Thomas J. Emge, Mark C. Lipke

Version 1 posted 11 April 2023

255

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Physical Chemistry

One- and two- electron reductions in miniSOG and their implication in catalysis

Oksana Azpitarte, Ane Zudaire, Xabier Lopez, Luca Salassa, Elena Formoso, Elixabete Rezabal

Version 1 posted 06 December 2022

99

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Theoretical and Computational Chemistry

Electron Tunneling Barriers in Marcus Theory of Electron Transfer: Incorporating Bridge State Thermal Fluctuations

Ravinder Kumar, Ravindra Venkatramani

Version 2 posted 07 May 2024

326

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