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Showing results 1 to 15 of 15
TypeAuthor(s)TitleOther TitlesCitationCitation(alt)Issue Date
article (author version)Tsutsumi, Takuro; Harabuchi, Yu; Ono, Yuriko; Maeda, Satoshi; Taketsugu, TetsuyaAnalyses of trajectory on-the-fly based on the global reaction route map-Physical chemistry chemical physics-21-Jan-2018
article (author version)Maeda, Satoshi; Harabuchi, Yu; Takagi, Makito; Taketsugu, Tetsuya; Morokuma, KeijiArtificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces-Chemical record-Oct-2016
articleKitagawa, Yuichi; Wada, Satoshi; Islam, M. D. Jahidul; Saita, Kenichiro; Gon, Masayuki; Fushimi, Koji; Tanaka, Kazuo; Maeda, Satoshi; Hasegawa, YasuchikaChiral lanthanide lumino-glass for a circularly polarized light security device-Communications Chemistry-25-Aug-2020
article (author version)Harabuchi, Yu; Taketsugu, Tetsuya; Maeda, SatoshiCombined 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
articleNabata, Hitoshi; Takagi, Makito; Saita, Kenichiro; Maeda, SatoshiComputational searches for crystal structures of dioxides of group 14 elements (CO2, SiO2, GeO2) under ultrahigh pressure-RSC advances-9-Jun-2020
articleMita, Tsuyoshi; Harabuchi, Yu; Maeda, SatoshiDiscovery of a synthesis method for a difluoroglycine derivative based on a path generated by quantum chemical calculations-Chemical science-7-Aug-2020
articleYoshimura, Takayoshi; Maeda, Satoshi; Taketsugu, Tetsuya; Sawamura, Masaya; Morokuma, Keiji; Mori, SeijiExploring the full catalytic cycle of rhodium(I)BINAP-catalysed isomerisation of allylic amines : a graph theory approach for path optimisation-Chemical science-Jun-2017
articleTakagi, Makito; Taketsugu, Tetsuya; Kino, Hiori; Tateyama, Yoshitaka; Terakura, Kiyoyuki; Maeda, SatoshiGlobal search for low-lying crystal structures using the artificial force induced reaction method : A case study on carbon-Physical Review B-30-May-2017
articleOhmura, Toshimichi; Morimasa, Yohei; Ichino, Tomoya; Miyake, Yusuke; Murata, Yasujiro; Suginome, Michinori; Tajima, Kunihiko; Taketsugu, Tetsuya; Maeda, SatoshiMechanism 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)Tsutsumi, Takuro; Harabuchi, Yu; Yamamoto, Rina; Maeda, Satoshi; Taketsugu, TetsuyaOn-the-fly molecular dynamics study of the excited-state branching reaction of alpha-methyl-cis-stilbene-Chemical physics-14-Nov-2018
articleYang, Deshuai; Bao, Panqing; Yang, Zhen; Chen, Zhaoxu; Sakaki, Shigeyoshi; Maeda, Satoshi; Zeng, GuixiangPincer-Type Phosphorus Compounds with Boryl-Pendant and Application in Catalytic H-2 Generation from Ammonia-Borane: A Theoretical Study-ChemCatChem-3-Sep-2021
articleKamei, Yuji; Seino, Yusuke; Yamaguchi, Yuto; Yoshino, Tatsuhiko; Maeda, Satoshi; Kojima, Masahiro; Matsunaga, ShigekiSilane- and peroxide-free hydrogen atom transfer hydrogenation using ascorbic acid and cobalt-photoredox dual catalysis-Nature communications-11-Feb-2021
article (author version)Saita, Kenichiro; Harabuchi, Yu; Taketsugu, Tetsuya; Ishitani, Osamu; Maeda, SatoshiTheoretical 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)Sugiyama, Kanami; Sumiya, Yosuke; Takagi, Makito; Saita, Kenichiro; Maeda, SatoshiUnderstanding CO oxidation on the Pt(111) surface based on a reaction route network-Physical chemistry chemical physics-14-Jul-2019
articleYorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, HirokiZn(OTf)(2)-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds-Chemical science-14-Jun-2019
Showing results 1 to 15 of 15

 

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