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Hokkaido University Collection of Scholarly and Academic Papers >
Showing results 1 to 18 of 18
| Type | Author(s) | Title | Other Titles | Citation | Citation(alt) | Issue Date | | article (author version) | Maeda, Satoshi; Harabuchi, Yu; Takagi, Makito; Taketsugu, Tetsuya; Morokuma, Keiji | Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces | - | Chemical record | - | Oct-2016 |
| article (author version) | Tsurui, Makoto; Kitagawa, Yuichi; Shoji, Sunao; Ohmagari, Hitomi; Hasegawa, Miki; Gon, Masayuki; Tanaka, Kazuo; Kobayashi, Masato; Taketsugu, Tetsuya; Fushimi, Koji; Hasegawa, Yasuchika | Asymmetric Lumino-Transformer : Circularly Polarized Luminescence of Chiral Eu(III) Coordination Polymer with Phase-Transition Behavior | - | Journal of Physical Chemistry B | - | 16-May-2022 |
| article | Kobayashi, Masato; Fujimori, Toshikazu; Taketsugu, Tetsuya | Automatic Determination of Buffer Region in Divide-anc-Conquer Quantum Chemical Calculations | - | Journal of computer chemistry, Japan | - | 7-Dec-2021 |
| article | Takenaka, Masato; Taketsugu, Tetsuya; Iwasa, Takeshi | Combined computational quantum chemistry and classical electrodynamics approach for surface enhanced infrared absorption spectroscopy | - | Journal of chemical physics | - | 30-Apr-2020 |
| article | Miyamoto, Maho; Taketsugu, Tetsuya; Iwasa, Takeshi | A comparative study of structural, electronic, and optical properties of thiolated gold clusters with icosahedral vs face-centered cubic cores | - | Journal of chemical physics | - | 7-Sep-2021 |
| article | Nakayama, Akira; Niimi, Keisuke; Ono, Yuriko; Taketsugu, Tetsuya | Competing effects of rare gas atoms in matrix isolation spectroscopy: A case study of vibrational shift of BeO in Xe and Ar matrices | - | Journal of Chemical Physics | - | 7-Feb-2012 |
| article (author version) | da Rosa, Pedro Paulo Ferreira; Miyazaki, Shiori; Sakamoto, Haruna; Kitagawa, Yuichi; Miyata, Kiyoshi; Akama, Tomoko; Kobayashi, Masato; Fushimi, Koji; Onda, Ken; Taketsugu, Tetsuya; Hasegawa, Yasuchika | Coordination Geometrical Effect on Ligand-to-Metal Charge Transfer-Dependent Energy Transfer Processes of Luminescent Eu(III) Complexes | - | Journal of physical chemistry A | - | 14-Jan-2021 |
| article (author version) | Cao, Yang; Maitarad, Phornphimon; Gao, Min; Taketsugu, Tetsuya; Li, Hongrui; Yan, Tingting; Shi, Liyi; Zhang, Dengsong | Defect-induced efficient dry reforming of methane over two-dimensional Ni/h-boron nitride nanosheet catalysts | - | Applied Catalysis B-environmental | - | 15-Dec-2018 |
| article | Fujimori, Toshikazu; Kobayashi, Masato; Taketsugu, Tetsuya | Energy-based automatic determination of buffer region in the divide-and-conquer second-order Moller-Plesset perturbation theory | - | Journal of computational chemistry | - | 25-Mar-2021 |
| article | Yoshimura, Takayoshi; Maeda, Satoshi; Taketsugu, Tetsuya; Sawamura, Masaya; Morokuma, Keiji; Mori, Seiji | Exploring the full catalytic cycle of rhodium(I)BINAP-catalysed isomerisation of allylic amines : a graph theory approach for path optimisation | - | Chemical science | - | Jun-2017 |
| article | Iwasa, Takeshi; Takenaka, Masato; Taketsugu, Tetsuya | Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations : Toward near-field infrared spectroscopy and microscopy | - | Journal of chemical physics | - | 29-Mar-2016 |
| article | Takagi, Makito; Taketsugu, Tetsuya; Kino, Hiori; Tateyama, Yoshitaka; Terakura, Kiyoyuki; Maeda, Satoshi | Global search for low-lying crystal structures using the artificial force induced reaction method : A case study on carbon | - | Physical Review B | - | 30-May-2017 |
| article | Ohmura, Toshimichi; Morimasa, Yohei; Ichino, Tomoya; Miyake, Yusuke; Murata, Yasujiro; Suginome, Michinori; Tajima, Kunihiko; Taketsugu, Tetsuya; Maeda, Satoshi | Mechanism of 2,6-Dichloro-4,4 '-bipyridine-Catalyzed Diboration of Pyrazines Involving a Bipyridine-Stabilized Boryl Radical | - | Bulletin of the chemical society of Japan | - | Jul-2021 |
| article (author version) | Kobayashi, Masato; Taketsugu, Tetsuya | Second-order Moller-Plesset perturbation (MP2) theory at finite temperature: relation with Surjan's density matrix MP2 and its application to linear-scaling divide-and-conquer method | - | Theoretical chemistry accounts | - | 16-Aug-2015 |
| article (author version) | Li, Ya-Ke; Babin, Mark C.; Debnath, Sreekanta; Iwasa, Takeshi; Kumar, Sonu; Taketsugu, Tetsuya; Asmis, Knut R.; Lyalin, Andrey; Neumark, Daniel M. | Structural Characterization of Nickel-Doped Aluminum Oxide Cations by Cryogenic Ion Trap Vibrational Spectroscopy | - | Journal of physical chemistry A | - | 4-Nov-2021 |
| article | Takenaka, Masato; Taketsugu, Tetsuya; Iwasa, Takeshi | Theoretical method for near-field Raman spectroscopy with multipolar Hamiltonian and real-time-TDDFT : Application to on- and off-resonance tip-enhanced Raman spectroscopy | - | Journal of chemical physics | - | 14-Jan-2021 |
| article (author version) | Saita, Kenichiro; Harabuchi, Yu; Taketsugu, Tetsuya; Ishitani, Osamu; Maeda, Satoshi | Theoretical study on mechanism of the photochemical ligand substitution of fac-[Re-I(bpy)(CO)(3)(PR3)](+) complex | - | Physical chemistry chemical physics | - | 14-Jul-2016 |
| article (author version) | Yamamoto, Eiji; Maeda, Satoshi; Taketsugu, Tetsuya; Ito, Hajime | Transition-Metal-Free Boryl Substitution Using Silylboranes and Alkoxy Bases | - | Synlett | - | Jul-2017 |
Showing results 1 to 18 of 18
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