Nalaganje...

Ab Initio QM/MM Simulation of Electron Transfer Process: Fractional Electron Approach

Electron transfer (ET) reactions are one of the most important processes in chemistry and biology. Because of the quantum nature of the processes and the complicated roles of the solvent, theoretical study of ET processes is challenging. To simulate ET processes at the electronic level, we have deve...

Popoln opis

Shranjeno v:
Bibliografske podrobnosti
Main Authors: Zeng, Xiancheng, Hu, Hao, Hu, Xiangqian, Cohen, Aron J., Yang, Weitao
Format: Artigo
Jezik:Inglês
Izdano: 2008
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC3730858/
https://ncbi.nlm.nih.gov/pubmed/18376946
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2832946
Oznake: Označite
Brez oznak, prvi označite!