Wavepacket propagations for the early time dynamics of proton-coupled electron transfer in the charge-transfer state of NH3Cl complex
Author:
Affiliation:
1. Department of Chemistry, Gangneung-Wonju National University, Gangneung, Gangwon-do 25457, Republic of Korea
Funder
National Research Foundation of Korea
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0046247
Reference61 articles.
1. Proton-Coupled Electron Transfer
2. Introduction: Proton-Coupled Electron Transfer
3. Proton-Coupled Electron Transfer
4. Elucidating Proton-Coupled Electron Transfer Mechanisms of Metal Hydrides with Free Energy- and Pressure-Dependent Kinetics
5. A Metalloradical Mechanism for the Generation of Oxygen from Water in Photosynthesis
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1. Nuclear wave-packet-propagation-based study of the electron-coupled, proton-transfer process in the charge-transfer state of FHCl exhibiting three electronic states in full-dimensional space;The Journal of Chemical Physics;2023-01-07
2. Quantum dynamics with ab initio potentials;The Journal of Chemical Physics;2021-08-28
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