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Physical Chemistry Chemical Physics : PCCP|September 3, 2025
Unraveling the structural origins of stimulated emission redshift in cyanine dye 1122C: a combined AIMD and machine learning studyYusuke Minegishi, Kenichiro Saita, Takuro Tsutsumi, et al.The Journal of Chemical Physics|February 18, 2006
Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methaneChikako Oyanagi, Kiyoshi Yagi, Tetsuya Taketsugu, et al.The Journal of Physical Chemistry. A|September 27, 2014
Systematic exploration of minimum energy conical intersection structures near the Franck-Condon regionSatoshi Maeda, Yu Harabuchi, Tetsuya Taketsugu, et al.The Journal of Chemical Physics|December 8, 2025
Ground-and excited-state fragmentation dynamics of doubly ionized OCS: A theoretical studyRyuto Kambara, Takuro Tsutsumi, Kenji Furuya, et al.Journal of Chemical Theory and Computation|December 9, 2024
Acceleration of Reaction Space Projector Analysis Using Combinatorial Optimization: Application to Organic Chemical ReactionsLihao Qu, Takuro Tsutsumi, Yuriko Ono, et al.Physical Chemistry Chemical Physics : PCCP|November 23, 2017
Fundamental peak disappears upon binding of a noble gas: a case of the vibrational spectrum of PtCO in an argon matrixYuriko Ono, Kiyoshi Yagi, Toshiyuki Takayanagi, et al.Scientific Reports|July 14, 2026
Orbital energy variations provide a physical basis for the Woodward-Hoffmann rulesMasaya Tsuruta, Tsuyoshi Mita, Tetsuya Taketsugu, et al.The Journal of Chemical Physics|August 13, 2005
An ab initio study of tunneling splittings in the water trimerMariko Takahashi, Yumiko Watanabe, Tetsuya Taketsugu, et al.The Journal of Physical Chemistry. A|January 23, 2014
Ab initio studies on the photophysics of uric acid and its monohydrates: role of the water moleculeShohei Yamazaki, Shu-hei Urashima, Hiroyuki Saigusa, et al.Journal of Computational Chemistry|October 4, 2022
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistryTakao Tsuneda, Hiroki Sumitomo, Masatoshi Hasebe, et al.Pageof 20