Tunneling matrix element and tunneling pathways of protein electron transfer calculated with a fragment molecular orbital method

Type
Publication
The Journal of Chemical Physics Vol. 153, num.10, 104104 (2020)
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.