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TypeAuthor(s)TitleOther TitlesCitationCitation(alt)Issue Date
articleKobayashi, Masato; Harada, Mei; Takakura, Hideo; Ando, Kanta; Goto, Yuto; Tsuneda, Takao; Ogawa, Mikako; Taketsugu, TetsuyaTheoretical and Experimental Studies on the Near-Infrared Photoreaction Mechanism of a Silicon Phthalocyanine Photoimmunotherapy Dye : Photoinduced Hydrolysis by Radical Anion Generation-ChemPlusChem-1-Jul-2020
article (author version)Tsuneda, Takao; Iwasa, Takeshi; Taketsugu, TetsuyaRoles of silver nanoclusters in surface-enhanced Raman spectroscopy-Journal of chemical physics-7-Sep-2019
article (author version)Tsuneda, Takao; Taketsugu, TetsuyaTheoretical investigations on hydrogen peroxide decomposition in aquo-Physical chemistry chemical physics-14-Oct-2018
article (author version)Hasegawa, Yasuchika; Miura, Yui; Kitagawa, Yuichi; Wada, Satoshi; Nakanishi, Takayuki; Fushimi, Koji; Seki, Tomohiro; Ito, Hajime; Iwasa, Takeshi; Taketsugu, Tetsuya; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Hattori, Shingo; Karasawa, Masanobu; Ishii, KazuyukiSpiral Eu(iii) coordination polymers with circularly polarized luminescence-Chemical communications-28-Sep-2018
article (author version)Singh, Raman K.; Iwasa, Takeshi; Taketsugu, TetsuyaInsights into Geometries, Stabilities, Electronic Structures, Reactivity Descriptors, and Magnetic Properties of Bimetallic NimCun-m (m=1, 2; n=3-13) Clusters: Comparison with Pure Copper Clusters-Journal of computational chemistry-5-Sep-2018
article (author version)Kondo, Yusuke; Kobayashi, Masato; Akama, Tomoko; Noro, Takeshi; Taketsugu, TetsuyaAll-electron relativistic computations on the low-lying electronic states, bond length, and vibrational frequency of CeF diatomic molecule with spin-orbit coupling effects-Journal of computational chemistry-15-Jun-2018
article (author version)Kobayashi, Masato; Fujimori, Toshikazu; Taketsugu, TetsuyaAutomated error control in divide-and-conquer self-consistent field calculations-Journal of computational chemistry-5-Jun-2018
article (author version)Lyalin, Andrey; Uosaki, Kohei; Taketsugu, TetsuyaOxygen Reduction Reaction Catalyzed by Small Gold Cluster on h-BN/Au(111) Support-Electrocatalysis-Mar-2018
article (author version)Ono, Yuriko; Yagi, Kiyoshi; Takayanagi, Toshiyuki; Taketsugu, TetsuyaFundamental peak disappears upon binding of a noble gas : a case of the vibrational spectrum of PtCO in an argon matrix-Physical chemistry chemical physics-7-Feb-2018
article (author version)Tsutsumi, Takuro; Harabuchi, Yu; Ono, Yuriko; Maeda, Satoshi; Taketsugu, TetsuyaAnalyses of trajectory on-the-fly based on the global reaction route map-Physical chemistry chemical physics-21-Jan-2018
article (author version)Furuhama, Ayako; Imamura, Takashi; Maeda, Satoshi; Taketsugu, TetsuyaTheoretical study of initial reactions of amine (CH3)(n)NH(3-n) (n=1, 2, 3) with ozone-Chemical physics letters-16-Jan-2018
article (author version)Yu, Xue-fang; Yamazaki, Shohei; Taketsugu, TetsuyaSolvent effects on the excited-state double proton transfer mechanism in the 7-azaindole dimer : a TDDFT study with the polarizable continuum model-Physical chemistry chemical physics-14-Sep-2017
article (author version)Yanagisawa, Kei; Kitagawa, Yuichi; Nakanishi, Takayuki; Akama, Tomoko; Kobayashi, Masato; Seki, Tomohiro; Fushimi, Koji; Ito, Hajime; Taketsugu, Tetsuya; Hasegawa, YasuchikaEnhanced Luminescence of Asymmetrical Seven-Coordinate Eu-III Complexes Including LMCT Perturbation-European journal of inorganic chemistry-1-Sep-2017
article (author version)Harabuchi, Yu; Taketsugu, Tetsuya; Maeda, SatoshiCombined gradient projection/single component artificial force induced reaction (GP/SC-AFIR) method for an efficient search of minimum energy conical intersection (MECI) geometries-Chemical physics letters-16-Apr-2017
article (author version)Lyalin, Andrey; Gao, Min; Taketsugu, TetsuyaWhen Inert Becomes Active : A Fascinating Route for Catalyst Design-Chemical record-Oct-2016
articleIikubo, Ryo; Sekikawa, Taro; Harabuchi, Yu; Taketsugu, TetsuyaStructural dynamics of photochemical reactions probed by time-resolved photoelectron spectroscopy using high harmonic pulses-Faraday discussions-31-May-2016
article (author version)Elumalai, Ganesan; Noguchi, Hidenori; Lyalin, Andrey; Taketsugu, Tetsuya; Uosaki, KoheiGold nanoparticle decoration of insulating boron nitride nanosheet on inert gold electrode toward an efficient electrocatalyst for the reduction of oxygen to water-Electrochemistry Communications-May-2016
article (author version)Yanagisawa, Kei; Nakanishi, Takayuki; Kitagawa, Yuichi; Seki, Tomohiro; Akama, Tomoko; Kobayashi, Masato; Taketsugu, Tetsuya; Ito, Hajime; Fushimi, Koji; Hasegawa, YasuchikaSeven-Coordinate Luminophores: Brilliant Luminescence of Lanthanide Complexes with C-3v Geometrical Structures-European journal of inorganic chemistry-Oct-2015
articleHarabuchi, Yu; Ono, Yuriko; Maeda, Satoshi; Taketsugu, TetsuyaAnalyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au-5-Journal of chemical physics-7-Jul-2015
articleMaeda, Satoshi; Taketsugu, Tetsuya; Ohno, Koichi; Morokuma, KeijiFrom Roaming Atoms to Hopping Surfaces: Mapping Out Global Reaction Routes in Photochemistry-Journal of the american chemical society-23-Feb-2015
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