29 citations · 130 across the 13 of their papers we have counts for
Showing 2016 · physics.chem-phShow all
3 papers · 2 filters
physics.chem-ph2016★ 11 cited
FMO3-LCMO study of electron transfer coupling matrix element and pathway: Application to hole transfer between two triptophanes through cis- and trans-polyproline-linker systems
Hirotaka Kitoh-Nishioka, Koji Ando
The linear-combination of fragment molecular orbitals with three-body correction (FMO3-LCMO) is examined for electron transfer (ET) coupling matrix elements and ET pathway analysis…
physics.chem-ph2016★ 29 cited
Charge-Transfer Matrix Elements by FMO-LCMO Approach: Hole Transfer in DNA with Parameter Tuned Range-Separated DFT
Hirotaka Kitoh-Nishioka, Koji Ando
A scheme for computing charge-transfer matrix elements with the linear combination of fragment molecular orbitals and the 'nonempirically tuned range-separated' density functional…
physics.chem-ph2016
Electron transfer pathway analysis in bacterial photosynthetic reaction center
Hirotaka Kitoh-Nishioka, Koji Ando
A new computational scheme to analyze electron transfer (ET) pathways in large biomolecules is presented with applications to ETs in bacterial photosynthetic reaction center. It co…