Hirotaka Kitoh-Nishioka

Latest

A copper(i) thiocyanate-based photoresponsive semiconducting 2D coordination polymer
Experimental and Theoretical Mutation of Exciton States on the Smallest Type-I Photosynthetic Reaction Center Complex of a Green Sulfur Bacterium Chlorobaclum tepidum
Light-Induced Subnanometric Modulation of a Single-Molecule Electron Source
Toward Accurate Prediction of Ion Mobility in Organic Semiconductors by Atomistic Simulation
Dynamical free energy based model for quantum decision making
Limited solvation of an electron donating tryptophan stabilizes a photoinduced charge-separated state in plant (6--4) photolyase
Theoretical Model of the Far-Red-Light-Adapted Photosystem I Reaction Center of Cyanobacterium Acaryochloris marina Using Chlorophyll d and the Effect of Chlorophyll Exchange
Comparison between the Light-Harvesting Mechanisms of Type-I Photosynthetic Reaction Centers of Heliobacteria and Photosystem I: Pigment Site Energy Distribution and Exciton State
Linear Combination of Molecular Orbitals of Fragments (FMO-LCMO) Method: Its Application to Charge Transfer Studies
Open-Architecture Program of Fragment Molecular Orbital Method for Massive Parallel Computing (OpenFMO) with GPU Acceleration
Excitonic Coupling on a Heliobacterial Symmetrical Type-I Reaction Center: Comparison with Photosystem I
Tunneling matrix element and tunneling pathways of protein electron transfer calculated with a fragment molecular orbital method
Calculation of Charge-Transfer Electronic Coupling with Nonempirically Tuned Range-Separated Density Functional
Does Inactive Alkyl Chain Enhance Triplet–Triplet Annihilation of 9,10-Diphenylanthracene Derivatives?
Electron Transfer Pathways of Cyclobutane Pyrimidine Dimer Photolyase Revisited
Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold
Synergetic Effects of Triplet–Triplet Annihilation and Directional Triplet Exciton Migration in Organic Crystals for Photon Upconversion
Classical cumulant dynamics for statistical chemical physics
Förster Resonance Energy Transfer between Fluorescent Proteins: Efficient Transition Charge-Based Study
Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach
Theoretical Analyses of Triplet–Triplet Annihilation Process of 9,10-Diphenylanthracene in Solution
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
Charge-transfer matrix elements by FMO-LCMO approach: Hole transfer in DNA with parameter tuned range-separated DFT
Computational study on the roles of amino acid residues in the active site formation mechanism of blue-light photoreceptors
Electron transfer pathway analysis in bacterial photosynthetic reaction center
A Strap Strategy for Construction of an Excited-State Intramolecular Proton Transfer (ESIPT) System with Dual Fluorescence
Fragment Molecular Orbital Study on Electron Tunneling Mechanisms in Bacterial Photosynthetic Reaction Center