論文

• Hideshi Ooka, Yuanqing Wang, Akira Yamaguchi, makoto hatakeyama, Shinichiro Nakamura, Kazuhito Hashimoto, Ryuhei Nakamura. Legitimate Intermediates of Oxygen Evolution on Iridium Oxide Revealed by In-situ Electrochemical Evanescent Wave Spectroscopy, Phys. Chem. Chem. Phys., Vol. 18, pp. 15199-15204, May 2016.
• Q. Gao, S. Yokojima, D-G. Fedorov, K. Kitaura, M. Sakurai, S. Nakamura. Octahedral point-charge model and its application to fragment molecular orbital calculations of chemical shifts, Chem. Phys. Lett., vol. 593, pp. 165-173, 2014.
• H. Nakata, D. G. Fedorov, S. Yokojima, K. Kitaura, M. Sakurai, S. Nakamura. Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems, J. Chem. Phys., vol. 140, pp. 144101-144111, 2014.
• Q. Gao, S. Yokojima, D. G. Fedorov, K. Kitaura, M. Sakurai, S. Nakamura. Fragment-molecular-orbital-based ab initio NMR chemical-shift calculations for large molecular systems with a cutoff distance, J. Chem. Theory Comput, Vol. 6, pp. 1428-1444, 2010.

その他の論文・著書など

• Q. Gao, S. Yokojima, S. Nakamura, M. Sakurai. Ab initio NMR Chemical Shift Calculations for Biomolecular Systems Using Fragment Molecular Orbital Method, TSUBAME ESJ, Vol. 4, pp. 1-5, 2011.

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