Calculation of electronic coupling matrix elements for ground and excited state electron transfer reactions: Comparison of the generalized Mulliken–Hush and block diagonalization methods
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.474023
Reference70 articles.
1. Quantum chemical probes of electron-transfer kinetics: the nature of donor-acceptor interactions
2. Electron transfers in chemistry and biology
3. Electronic Coupling Matrix Elements in Acceptor-Donor Excited States and the Effect of Charge-Transfer Character on Their Radiative Rate Constants
4. Intramolecular Charge Transfer in Aromatic Free Radicals
5. Intramolecular Charge Transfer in Aromatic Free Radicals
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