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Journal of Computational Chemistry|August 25, 2021
A reaction route network for methanol decomposition on a Pt(111) surfaceKanami Sugiyama, Kenichiro Saita, Satoshi MaedaPhysical Chemistry Chemical Physics : PCCP|February 7, 2019
Understanding CO oxidation on the Pt(111) surface based on a reaction route networkKanami Sugiyama, Yosuke Sumiya, Makito Takagi, et al.Journal of Computational Chemistry|November 15, 2017
Implementation and performance of the artificial force induced reaction method in the GRRM17 programSatoshi Maeda, Yu Harabuchi, Makito Takagi, et al.RSC Advances|November 3, 2023
An energy decomposition and extrapolation scheme for evaluating electron transfer rate constants: a case study on electron self-exchange reactions of transition metal complexesAkihiro Mutsuji, Kenichiro Saita, Satoshi MaedaPhotochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|January 24, 2018
Exploring radiative and nonradiative decay paths in indole, isoindole, quinoline, and isoquinolineYu Harabuchi, Kenichiro Saita, Satoshi MaedaRSC Advances|May 6, 2022
Computational searches for crystal structures of dioxides of group 14 elements (CO2, SiO2, GeO2) under ultrahigh pressureHitoshi Nabata, Makito Takagi, Kenichiro Saita, et al.The Journal of Chemical Physics|August 24, 2018
Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystalKenichiro Saita, Makito Takagi, Yu Harabuchi, et al.Physical Chemistry Chemical Physics : PCCP|June 17, 2016
Theoretical study on mechanism of the photochemical ligand substitution of fac-[Re(I)(bpy)(CO)3(PR3)](+) complexKenichiro Saita, Yu Harabuchi, Tetsuya Taketsugu, et al.Communications Chemistry|January 27, 2023
Chiral lanthanide lumino-glass for a circularly polarized light security deviceYuichi Kitagawa, Satoshi Wada, M D Jahidul Islam, et al.The Journal of Chemical Physics|December 20, 2012
On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest methodKenichiro Saita, Dmitrii V ShalashilinPageof 27