FMO3-LCMO study of electron transfer coupling matrix element and pathway: Application to hole transfer between two tryptophans through cis- and trans-polyproline-linker systems

Type
Publication
The Journal of Chemical Physics Vol. 145, num. 11, 114103 (2016)
Hirotaka Kitoh-Nishioka
Hirotaka Kitoh-Nishioka
Proffesor(Asociate)

My main research theme is to understand the quantum mechanical mechanisms of photoelectric energy conversion in solar cells and photosynthesis through computer simulations.