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Hokkaido University Collection of Scholarly and Academic Papers >
Showing results 41 to 60 of 65
| Type | Author(s) | Title | Other Titles | Citation | Citation(alt) | Issue Date | | 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) | 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; 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 | 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) | 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) | 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) | Yanagisawa, Kei; Nakanishi, Takayuki; Kitagawa, Yuichi; Seki, Tomohiro; Akama, Tomoko; Kobayashi, Masato; Taketsugu, Tetsuya; Ito, Hajime; Fushimi, Koji; Hasegawa, Yasuchika | Seven-Coordinate Luminophores: Brilliant Luminescence of Lanthanide Complexes with C-3v Geometrical Structures | - | European journal of inorganic chemistry | - | Oct-2015 |
| article (author version) | Harabuchi, Yu; Taketsugu, Tetsuya | A significant role of the totally symmetric valley-ridge inflection point in the bifurcating reaction pathway | - | Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) | - | Oct-2011 |
| 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) | 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 | Nakayama, Akira; Arai, Gaku; Yamazaki, Shohei; Taketsugu, Tetsuya | Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution : Excited-state QM/MM molecular dynamics simulations | - | Journal of chemical physics | - | 7-Dec-2013 |
| article (author version) | Nakayama, Akira; Taketsugu, Tetsuya; Shiga, Motoyuki | Speed-up of ab initio hybrid Monte Carlo and ab Initio path integral hybrid Monte Carlo simulations by using an auxiliary potential energy surface | - | Chemistry letters | - | 5-Oct-2009 |
| 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 | 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) | 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 | 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; Taketsugu, Tetsuya | Theoretical investigations on hydrogen peroxide decomposition in aquo | - | Physical chemistry chemical physics | - | 14-Oct-2018 |
| article | Taketsugu, Yuriko; Taketsugu, Tetsuya; Noro, Takeshi | Theoretical prediction of noble-gas compounds : Ng-Pd-Ng and Ng-Pt-Ng | - | The Journal of Chemical Physics | - | 2006 |
| article (author version) | Lyalin, Andrey; Nakayama, Akira; Uosaki, Kohei; Taketsugu, Tetsuya | Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction | - | Physical Chemistry Chemical Physics | - | 28-Feb-2013 |
| article (author version) | Taketsugu, Yuriko; Noro, Takeshi; Taketsugu, Tetsuya | Theoretical study of Ar-MCO (M = Pd, Pt) | - | Chemical Physics Letters | - | 7-Jan-2010 |
Showing results 41 to 60 of 65
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