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Hokkaido University Collection of Scholarly and Academic Papers >
Showing results 1 to 20 of 48
| Type | Author(s) | Title | Other Titles | Citation | Citation(alt) | Issue Date | | 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 | 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 | - | 1-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 (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 |
| article (author version) | Lyalin, Andrey; Uosaki, Kohei; Taketsugu, Tetsuya | Oxygen 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, Tetsuya | Fundamental 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, Tetsuya | Analyses 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, Tetsuya | Theoretical 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, Tetsuya | Solvent 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, Yasuchika | Enhanced 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, Satoshi | Combined 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, Tetsuya | When Inert Becomes Active : A Fascinating Route for Catalyst Design | - | Chemical record | - | Oct-2016 |
| article | Iikubo, Ryo; Sekikawa, Taro; Harabuchi, Yu; Taketsugu, Tetsuya | Structural 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, Kohei | Gold 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 |
Showing results 1 to 20 of 48
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