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Journal of Chemical Theory and Computation|July 13, 2018
Visualization of the Intrinsic Reaction Coordinate and Global Reaction Route Map by Classical Multidimensional ScalingTakuro Tsutsumi, Yuriko Ono, Zin Arai, et al.The Journal of Chemical Physics|December 11, 2013
Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: excited-state QM/MM molecular dynamics simulationsAkira Nakayama, Gaku Arai, Shohei Yamazaki, et al.Scientific Reports|April 21, 2026
Local structures and catalytic N<sub>2</sub>O decomposition properties of Ni<sub>1-x</sub>Cu<sub>x</sub>Co<sub>2</sub>O<sub>4</sub>Satoshi Hinokuma, Nino Uchiyama, Tetsuya Taketsugu, et al.Inorganic Chemistry|March 13, 2019
Low-Lying Excited States of hqxcH and Zn-hqxc Complex: Toward Understanding Intramolecular Proton Transfer EmissionMasanori Ebina, Yusuke Kondo, Takeshi Iwasa, et al.Faraday Discussions|October 7, 2016
Structural dynamics of photochemical reactions probed by time-resolved photoelectron spectroscopy using high harmonic pulsesRyo Iikubo, Taro Sekikawa, Yu Harabuchi, et al.The Journal of Chemical Physics|August 5, 2024
Near-field induced local excitation dynamics of Na10 and Na10-N2 from real-time TDDFTDaisuke Nishizawa, Risa Amano, Tetsuya Taketsugu, et al.Physical Chemistry Chemical Physics : PCCP|July 15, 2026
Crystal-environment control of excited-state reaction branching in 5-chloro-<i>N</i>-salicylideneanilineHiroto Komuro, Kenichiro Saita, Takuro Tsutsumi, et al.Journal of Chemical Theory and Computation|June 12, 2020
Visualization of the Dynamics Effect: Projection of on-the-Fly Trajectories to the Subspace Spanned by the Static Reaction Path NetworkTakuro Tsutsumi, Yuriko Ono, Zin Arai, et al.Journal of Chemical Theory and Computation|October 25, 2021
One-to-One Correspondence between Reaction Pathways and Reactive OrbitalsMasatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu, et al.Journal of the American Chemical Society|February 24, 2015
From roaming atoms to hopping surfaces: mapping out global reaction routes in photochemistrySatoshi Maeda, Tetsuya Taketsugu, Koichi Ohno, et al.Pageof 20