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Hokkaido University Collection of Scholarly and Academic Papers >
Showing results 1 to 20 of 65
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 (author version) | Tsuneda, Takao; Sumitomo, Hiroki; Hasebe, Masatoshi; Tsutsumi, Takuro; Taketsugu, Tetsuya | Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry | - | Journal of computational chemistry | - | 15-Jan-2023 |
article | Miyajima, Sayuri; Hossain, Sakiat; Ikeda, Ayaka; Kosaka, Taiga; Kawawaki, Tokuhisa; Niihori, Yoshiki; Iwasa, Takeshi; Taketsugu, Tetsuya; Negishi, Yuichi | Key factors for connecting silver-based icosahedral superatoms by vertex sharing | - | Communications Chemistry | - | 2023 |
article (author version) | Tsutsumi, Takuro; Ono, Yuriko; Taketsugu, Tetsuya | Multi-state Energy Landscape for Photoreaction of Stilbene and Dimethyl-stilbene | - | Journal of chemical theory and computation | - | 13-Dec-2022 |
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 (author version) | Kitagawa, Yuichi; Moriake, Ryoma; Akama, Tomoko; Saito, Koki; Aikawa, Kota; Shoji, Sunao; Fushimi, Koji; Kobayashi, Masato; Taketsugu, Tetsuya; Hasegawa, Yasuchika | Effective Photosensitization in Excited-State Equilibrium: Brilliant Luminescence of Tb-III Coordination Polymers Through Ancillary Ligand Modifications | - | ChemPlusChem | - | Oct-2022 |
article | Ebisawa, Shuichi; Tsutsumi, Takuro; Taketsugu, Tetsuya | Extension of natural reaction orbital approach to multiconfigurational wavefunctions | - | Journal of chemical physics | - | 28-Aug-2022 |
article (author version) | Wang, Ben; Ito, Mikio; Gao, Min; Noguchi, Hidenori; Uosaki, Kohei; Taketsugu, Tetsuya | Identifying Substrate-Dependent Chemical Bonding Nature at Molecule/Metal Interfaces Using Vibrational Sum Frequency Generation Spectroscopy and Theoretical Calculations | - | Journal of physical chemistry c | - | 14-Jul-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) | Kobayashi, Masato; Oba, Yuta; Akama, Tomoko; Taketsugu, Tetsuya | Practical electronic ground-and excited-state calculation method for lanthanide complexes based on frozen core potential approximation to 4f electrons | - | Journal of mathematical chemistry | - | 22-May-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 |
Showing results 1 to 20 of 65
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