• Catalytic Mechanism of Liquid-Metal Indium for Direct Dehydrogenative Conversion of Methane to Higher Hydrocarbons
    Y. Nisikawa, Y. Ohtsuka, H. Ogihara, R. Rattanawan, M. Gao, A. Nakayama, J. Hasegawa, and I. Yamanaka
    ACS Omega (in press).
  • Mechanistic Study on Deoxydehydration and Hydrogenation of Methyl Glycosides to Dideoxy Sugars over ReOx-Pd/CeO2 catalyst
    J. Cao, M. Tamura, R. Hosaka, A. Nakayama, J. Hasegawa, Y. Nakagawa, and K. Tomishige
    ACS Catal. 10, 12040-12051 (2020).
    DOI: 10.1021/acscatal.0c02309
  • Extending nudged elastic band method to reaction pathways involving multiple spin states
    L. Zhao, K. Watanabe, N. Nakatani, A. Nakayama, X. Xu, and J. Hasegawa
    J. Chem. Phys. 153, 134114 (2020).
    DOI: 10.1063/5.0021923
  • A detailed analysis of the spin-crossover reaction of H2S binding to heme and the six-coordinated FeP(Im)-HS porphyrin complex
    B. D. Ostojić, P. Schwerdtfeger, A. Nakayama, J. Hasegawa, and D. S. Đorđević
    J. Inorg. Biochem. 206, 111049 (2020).
    DOI: 10.1016/j.jinorgbio.2020.111049
  • Development of a 1,3a,6a-Triazapentalene Derivative as a Compact and Thiol-Specific Fluorescent Labeling Reagent
    A. Nakayama, A. Otani, T. Inokuma, D. Tsuji, H. Mukaiyama, A. Nakayama, K. Itoh, A. Otaka, K. Tanino, and K. Namba
    Commun. Chem. 3, 6 (2020).
    DOI: 10.1038/s42004-019-0250-0


  • Distinct ionic adsorption sites in defective Prussian blue: a 3D-RISM study
    N. Ruankaew, N. Yoshida, Y. Watanabe, A. Nakayama, H. Nakano, and S. Phongphanphanee
    Phys. Chem. Chem. Phys. 21, 22569-22576 (2019).
    DOI: 10.1039/C9CP04355A
  • Theoretical Study on the C-H Activation of Methane by Liquid-Metal Indium: Catalytic Activity of Small Indium Clusters
    Y. Ohtsuka, Y. Nishikawa, H. Ogihara, I. Yamanaka, M. Ratanasak, A. Nakayama, and J. Hasegawa
    J. Phys. Chem. A 123, 8907-8912 (2019).
    DOI: 10.1021/acs.jpca.9b06374
  • Experimental and theoretical study of multinuclear Indium-oxo clusters in CHA zeolite for CH4 activation at room temperature
    Z. Maeno, S. Yasumura, C. Liu, T. Toyao, K. Kon, A. Nakayama, J. Hasegawa, and K. Shimizu
    Phys. Chem. Chem. Phys. 21, 13415-13427 (2019).
    DOI: 10.1039/C9CP01873E
  • Direct Synthesis of Alternating Polycarbonates from CO2 and Diols by Using a Catalyst System of CeO2 and 2-furonitrile
    Y. Gu, K. Matsuda, A. Nakayama, M. Tamura, Y. Nakagawa, and K. Tomishige
    ACS Sustainable Chem. Eng. 7, 6304-6315 (2019).
    DOI: 10.1021/acssuschemeng.8b06870
  • Soft X-ray Li-K and Si-L2,3 Emission from Crystalline and Amorphous Lithium Silicides in Lithium-Ion Batteries Anode
    A. Lyalin, V. G. Kuznetsov, A. Nakayama, I. V. Abarenkov, I. I. Tupitsyn, I. E. Gabis, K. Uosaki, and T. Taketsugu
    J. Electrochem. Soc. 166, A5362-A5368 (2019). (Special Issue: Focus Issue of Selected Papers from IMLB 2018)
    DOI: 10.1149/2.0551903jes
  • Constraint Structure Optimization to a Specific Minimum Using Ionization Energy
    I. Harada, A. Nakayama, J. Hasegawa
    J. Comput. Chem. 40, 507-514 (2019). (Special Issue: Memorial Festschrift for Keiji Morokuma)
    DOI: 10.1002/jcc.25738