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Hokkaido University Collection of Scholarly and Academic Papers >
Showing results 1 to 20 of 58
| Type | Author(s) | Title | Other Titles | Citation | Citation(alt) | Issue Date | | article | Sekikawa, Taro; Saito, Nariyuki; Kurimoto, Yutaro; Ishii, Nobuhisa; Mizuno, Tomoya; Kanai, Teruto; Itatani, Jiro; Saita, Kenichiro; Taketsugu, Tetsuya | Real-time observation of the Woodward-Hoffmann rule for 1,3-cyclohexadiene by femtosecond soft X-ray transient absorption | - | Physical chemistry chemical physics | - | 28-Mar-2023 |
| article | Tsuneda, Takao; Taketsugu, Tetsuya | Singlet fission initiating triplet generations of BODIPY derivatives through π-stacking : a theoretical study | - | Scientific reports | - | 16-Nov-2022 |
| article | Toda, Keijiro; Hirose, Yoshihiro; Kazuma, Emiko; Kim, Yousoo; Taketsugu, Tetsuya; Iwasa, Takeshi | Excited States of Metal-Adsorbed Dimethyl Disulfide : A TDDFT Study with Cluster Model | - | Journal of physical chemistry A | - | 7-Jul-2022 |
| article (author version) | Ebisawa, Shuichi; Hasebe, Masatoshi; Tsutsumi, Takuro; Tsuneda, Takao; Taketsugu, Tetsuya | Natural reaction orbitals for characterizing electron transfer responsive to nuclear coordinate displacement | - | Physical chemistry chemical physics | - | 14-Feb-2022 |
| article (author version) | Tsutsumi, Takuro; Ono, Yuriko; Taketsugu, Tetsuya | Visualization of reaction route map and dynamical trajectory in reduced dimension | - | Chemical communications | - | 18-Nov-2021 |
| article (author version) | Tentaku, Tateharu; Atobe, Ryunosuke; Tsutsumi, Takuro; Satoh, Sota; Harabuchi, Yu; Taketsugu, Tetsuya; Sekikawa, Taro | Switching the relaxation pathway by steric effects in conjugated dienes | - | Journal of Physics B : Atomic, Molecular and Optical Physics | - | 6-Oct-2021 |
| article (author version) | Gao, Min; Wang, Ben; Tsuneda, Takao; Lyalin, Andrey; Taketsugu, Tetsuya | Catalytic Functionalization of Hexagonal Boron Nitride for Oxidation and Epoxidation Reactions by Molecular Oxygen | - | Journal of physical chemistry c | - | 9-Sep-2021 |
| article (author version) | Ebisawa, Shuichi; Tsutsumi, Takuro; Taketsugu, Tetsuya | Geometric analysis of anharmonic downward distortion following paths | - | Journal of computational chemistry | - | 5-Jan-2021 |
| article (author version) | Nitta, Yuki; Schalk, Oliver; Igarashi, Hironori; Wada, Satoi; Tsutsumi, Takuro; Saita, Kenichiro; Taketsugu, Tetsuya; Sekikawa, Taro | Real-Time Probing of an Atmospheric Photochemical Reaction by Ultrashort Extreme Ultraviolet Pulses: Nitrous Acid Release from o-Nitrophenol | - | Journal of physical chemistry letters | - | 4-Jan-2021 |
| article (author version) | Kondo, Yusuke; Goto, Yuri; Kobayashi, Masato; Akama, Tomoko; Noro, Takeshi; Taketsugu, Tetsuya | All-electron relativistic spin-orbit multireference computation to elucidate the ground state of CeH | - | Physical chemistry chemical physics | - | 14-Dec-2020 |
| article (author version) | Tsutsumi, Takuro; Ono, Yuriko; Arai, Zin; Taketsugu, Tetsuya | Visualization of the Dynamics Effect : Projection of on-the-Fly Trajectories to the Subspace Spanned by the Static Reaction Path Network | - | Journal of chemical theory and computation | - | 14-Jul-2020 |
| article (author version) | Wang, Ben; Gao, Min; Uosaki, Kohei; Taketsugu, Tetsuya | A quantum chemical study of substituent effects on CN bonds in aryl isocyanide molecules adsorbed on the Pt surface | - | Physical chemistry chemical physics | - | 7-Jun-2020 |
| article | Kobayashi, Masato; Harada, Mei; Takakura, Hideo; Ando, Kanta; Goto, Yuto; Tsuneda, Takao; Ogawa, Mikako; Taketsugu, Tetsuya | Theoretical and Experimental Studies on the Near-Infrared Photoreaction Mechanism of a Silicon Phthalocyanine Photoimmunotherapy Dye : Photoinduced Hydrolysis by Radical Anion Generation | - | ChemPlusChem | - | 25-May-2020 |
| article (author version) | Tsuneda, Takao; Iwasa, Takeshi; Taketsugu, Tetsuya | Roles of silver nanoclusters in surface-enhanced Raman spectroscopy | - | Journal of chemical physics | - | 7-Sep-2019 |
| article (author version) | Tsutsumi, Takuro; Harabuchi, Yu; Yamamoto, Rina; Maeda, Satoshi; Taketsugu, Tetsuya | On-the-fly molecular dynamics study of the excited-state branching reaction of alpha-methyl-cis-stilbene | - | Chemical physics | - | 14-Nov-2018 |
| article (author version) | Tsuneda, Takao; Taketsugu, Tetsuya | Theoretical 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, Kazuyuki | Spiral Eu(iii) coordination polymers with circularly polarized luminescence | - | Chemical communications | - | 28-Sep-2018 |
| article (author version) | Singh, Raman K.; Iwasa, Takeshi; Taketsugu, Tetsuya | Insights 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, Tetsuya | All-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, Tetsuya | Automated error control in divide-and-conquer self-consistent field calculations | - | Journal of computational chemistry | - | 5-Jun-2018 |
Showing results 1 to 20 of 58
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