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TypeAuthor(s)TitleOther TitlesCitationCitation(alt)Issue Date
article (author version)Miyazaki, Ray; Iida, Kenji; Ohno, Shohei; Matsuzaki, Tsuyoshi; Suzuki, Takeyuki; Arisawa, Mitsuhiro; Hasegawa, Jun-yaSubstrate-Assisted Reductive Elimination Determining the Catalytic Cycle : A Theoretical Study on the Ni-Catalyzed 2,3-Disubstituted Benzofuran Synthesis via C-O Bond Activation-Organometallics-12-Dec-2022
article (author version)Ratanasak, Manussada; Murata, Takumi; Adachi, Taishin; Hasegawa, Jun-ya; Ema, TadashiMechanism of BPh3-Catalyzed N-Methylation of Amines with CO2 and Phenylsilane : Cooperative Activation of Hydrosilane-Chemistry-A European journal-18-Oct-2022
article (author version)Ratanasak, Manussada; Tanaka, Shinji; Kitamura, Masato; Hasegawa, Jun-yaAsymmetric Dehydrative Cyclization of Allyl Alcohol to Cyclic Ether Using Chiral Bronsted Acid/CpRu(II) Hybrid Catalysts : A DFT Study of the Origin of Enantioselectivity-Journal of organic chemistry-7-Oct-2022
article (author version)Kato, Yoshimi; Yoshino, Tatsuhiko; Gao, Min; Hasegawa, Jun-ya; Kojima, Masahiro; Matsunaga, ShigekiIron/Photosensitizer Hybrid System Enables the Synthesis of Polyaryl-Substituted Azafluoranthenes-Journal of the American Chemical Society-27-Sep-2022
article (author version)Apilardmongkol, Pavee; Ratanasak, Manussada; Hasegawa, Jun-ya; Parasuk, VudhichaiExploring the Reaction Mechanism of Heterobimetallic Nickel-Alkali Catalysts for Ethylene Polymerization : Secondary-Metal-Ligand Cooperative Catalysis-ChemCatChem-7-Jul-2022
article (author version)De Chavez, Danjo; Hasegawa, Jun-yaRevisiting Activity Tuning Using Lattice Strain : CO Decomposition in Terrace Ru(0001) and Stepped Ru(1015) Surfaces-Journal of physical chemistry c-9-Jun-2022
articleDe Chavez, Danjo; Hasegawa, Jun-yaOpenMechanochem : A Python module for mechanochemical simulations-SoftwareX-1-Dec-2021
articleHoshimoto, Yoichi; Sakuraba, Mahiro; Kinoshita, Takuya; Ohbo, Masaki; Ratanasak, Manussada; Hasegawa, Jun-ya; Ogoshi, SensukeA boron-transfer mechanism mediating the thermally induced revival of frustrated carbene-borane pairs from their shelf-stable adducts-Communications Chemistry-27-Sep-2021
article (author version)Dostagir, Nazmul Hasan Md; Rattanawan, Rattanawalee; Gao, Min; Ota, Jin; Hasegawa, Jun-ya; Asakura, Kiyotaka; Fukuoka, Atsushi; Shrotri, AbhijitCo Single Atoms in ZrO2 with Inherent Oxygen Vacancies for Selective Hydrogenation of CO2 to CO-ACS catalysis-6-Aug-2021
articleKobayashi, Hirokazu; Suzuki, Yusuke; Sagawa, Takuya; Kuroki, Kyoichi; Hasegawa, Jun-ya; Fukuoka, AtsushiImpact of tensile and compressive forces on the hydrolysis of cellulose and chitin-Physical chemistry chemical physics-5-Jun-2021
article (author version)Miyazaki, Ray; Jin, Xiongjie; Yoshii, Daichi; Yatabe, Takafumi; Yabe, Tomohiro; Mizuno, Noritaka; Yamaguchi, Kazuya; Hasegawa, Jun-yaMechanistic study of C-H bond activation by O-2 on negatively charged Au clusters : alpha,beta-dehydrogenation of 1-methyl-4-piperidone by supported Au catalysts dagger-Catalysis science and technology-21-Mar-2021
article (author version)De Chavez, Danjo; Kobayashi, Hirokazu; Fukuoka, Atsushi; Hasegawa, Jun-yaOn the Electronic Structure Origin of Mechanochemically Induced Selectivity in Acid-Catalyzed Chitin Hydrolysis-The Journal of Physical Chemistry A-14-Jan-2021
article (author version)Ng, Jie Qi; Arima, Hiro; Mochizuki, Takuya; Toh, Kohei; Matsui, Kai; Ratanasak, Manussada; Hasegawa, Jun-Ya; Hatano, Manabu; Ishihara, KazuakiChemoselective Transesterification of Methyl (Meth)acrylates Catalyzed by Sodium(I) or Magnesium(II) Aryloxides-ACS catalysis-1-Jan-2021
article (author version)Kohei, Saito; Yuya, Watabe; Takaaki, Miyazaki; Takayanagi, Toshiyuki; Hasegawa, Jun-yaSpin‐inversion mechanisms in O2 binding to a model heme compound : A perspective from nonadiabatic wave packet calculations-Journal of Computational Chemistry-Nov-2020
articleZhao, Liming; Watanabe, K-jiro; Nakatani, Naoki; Nakayama, Akira; Xu, Xin; Hasegawa, Jun-yaExtending nudged elastic band method to reaction pathways involving multiple spin states-Journal of chemical physics-7-Oct-2020
articleDeng, Jingyuan; Ratanasak, Manussada; Sako, Yuma; Tokuda, Hideki; Maeda, Chihiro; Hasegawa, Jun-ya; Nozaki, Kyoko; Ema, TadashiAluminum porphyrins with quaternary ammonium halides as catalysts for copolymerization of cyclohexene oxide and CO2: metal-ligand cooperative catalysis-Chemical science-14-Jun-2020
article (author version)Saito, Kohei; Watabe, Yuya; Fujihara, Takashi; Takayanagi, Toshiyuki; Hasegawa, Jun-yaSpin-inversion mechanisms in O-2 binding to a model heme complex revisited by density function theory calculations-Journal of Computational Chemistry-30-Apr-2020
articleRatanasak, Manussada; Hasegawa, Jun-ya; Parasuk, VudhichaiRoles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler-Natta Catalyzed Propylene Polymerization-Polymers-Apr-2020
article (author version)Qi, Qi; Deng, Yaqian; Gu, Sichen; Gao, Min; Hasegawa, Jun-ya; Zhou, Guangmin; Lv, Xiaohui; Lv, Wei; Yang, Quan-HongL-Cysteine-Modified Acacia Gum as a Multifunctional Binder for Lithium-Sulfur Batteries-ACS applied materials & interfaces-26-Dec-2019
articleDing, Shipeng; Guo, Yalin; Hulsey, Max J.; Zhang, Bin; Asakura, Hiroyuki; Liu, Lingmei; Han, Yu; Gao, Min; Hasegawa, Jun-ya; Qiao, Botao; Zhang, Tao; Yan, NingElectrostatic Stabilization of Single-Atom Catalysts by Ionic Liquids-Chem-12-Dec-2019
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