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The Journal of Physical Chemistry Letters|August 21, 2015
Automated Exploration of Photolytic Channels of HCOOH: Conformational Memory via Excited-State RoamingSatoshi Maeda, Tetsuya Taketsugu, Keiji MorokumaThe Journal of Chemical Physics|January 15, 2021
Theoretical method for near-field Raman spectroscopy with multipolar Hamiltonian and real-time-TDDFT: Application to on- and off-resonance tip-enhanced Raman spectroscopyMasato Takenaka, Tetsuya Taketsugu, Takeshi IwasaPhysical Chemistry Chemical Physics : PCCP|February 27, 2015
Matrix site effects on vibrational frequencies of HXeCCH, HXeBr, and HXeI: a hybrid quantum-classical simulationKeisuke Niimi, Tetsuya Taketsugu, Akira NakayamaThe Journal of Chemical Physics|May 3, 2020
Combined computational quantum chemistry and classical electrodynamics approach for surface enhanced infrared absorption spectroscopyMasato Takenaka, Tetsuya Taketsugu, Takeshi IwasaThe Journal of Chemical Physics|September 1, 2022
Extension of natural reaction orbital approach to multiconfigurational wavefunctionsShuichi Ebisawa, Takuro Tsutsumi, Tetsuya TaketsuguChemical Communications (Cambridge, England)|October 13, 2021
Visualization of reaction route map and dynamical trajectory in reduced dimensionTakuro Tsutsumi, Yuriko Ono, Tetsuya TaketsuguThe Journal of Chemical Physics|January 22, 2009
Efficient sampling for ab initio Monte Carlo simulation of molecular clusters using an interpolated potential energy surfaceAkira Nakayama, Nanami Seki, Tetsuya TaketsuguChemistry, an Asian Journal|October 12, 2013
Multiple reaction pathways operating in the mechanism of vinylogous Mannich-type reaction activated by a water moleculeRyohei Uematsu, Satoshi Maeda, Tetsuya TaketsuguThe Journal of Chemical Physics|December 15, 2005
Theoretical study of Pt-Ng and Ng-Pt-Ng (Ng=Ar,Kr,Xe)Yuriko Ono, Tetsuya Taketsugu, Takeshi NoroChemical Record (New York, N.Y.)|July 30, 2016
When Inert Becomes Active: A Fascinating Route for Catalyst DesignAndrey Lyalin, Min Gao, Tetsuya TaketsuguPageof 20