理論物理化学研究室
理論物理化学研究室
見学/配属希望の学生へ
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Koji Ando
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Linear Combination of Molecular Orbitals of Fragments (FMO-LCMO) Method: Its Application to Charge Transfer Studies
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
Electron Transfer Pathways of Cyclobutane Pyrimidine Dimer Photolyase Revisited
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
Fragment Molecular Orbital Study on Electron Tunneling Mechanisms in Bacterial Photosynthetic Reaction Center
Electronic coupling calculation and pathway analysis of electron transfer reaction using ab initio fragment-based method. I. FMO–LCMO approach
Pathway analysis of super-exchange electronic couplings in electron transfer reactions using a multi-configuration self-consistent field method
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