Computational construction of the electronic Hamiltonian for photoinduced electron transfer and Redfield propagation

2019 ◽  
Vol 21 (31) ◽  
pp. 17366-17377
Author(s):  
Freja E. Storm ◽  
Maria Harris Rasmussen ◽  
Kurt V. Mikkelsen ◽  
Thorsten Hansen
Keyword(s):  
Electron Transfer ◽  
Ab Initio ◽  
Open System ◽  
Photoinduced Electron Transfer ◽  
Transfer Processes ◽  
Electron Transfer Processes

The construction of open-system diabatic Hamiltonians relevant for the investigation of electron transfer processes is a computational challenge. Here all relevant parameters for Redfield propagations are extracted from ab initio computations.

Photoinduced electron transfer in mechanically interlocked suit[3]ane systems

2021 ◽  
Author(s):  
Anton J Stasyuk ◽  
Olga A. Stasyuk ◽  
Miquel Solà ◽  
Alexander Voityuk
Keyword(s):  
Electron Transfer ◽  
Photoinduced Electron Transfer ◽  
New Class ◽  
Transfer Processes ◽  
Two Component ◽  
Electron Transfer Processes

Suitanes, a new class of two-component mechanically interlocked systems, have recently been developed. In this work, we report a detailed study of photoinduced electron transfer processes in the suit[3]anes consisting...

Photoinduced Electron Transfer Processes in 1,8-Naphthalimide-Linker-Phenothiazine Dyads

2006 ◽  
Vol 110 (23) ◽  
pp. 11062-11068 ◽  
Author(s):  
Dae Won Cho ◽  
Mamoru Fujitsuka ◽  
Akira Sugimoto ◽  
Ung Chan Yoon ◽  
Patrick S. Mariano ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Photoinduced Electron Transfer ◽  
Transfer Processes ◽  
Electron Transfer Processes
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