• 5447 Citations
  • 37 h-Index
1990 …2019

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Unusual energy balance between atoms in postperovskite MgSiO3

Hirate, H., Sawai, H., Saito, Y., Yukawa, H., Morinaga, M. & Nakai, H., 2010 Oct 1, In : Journal of the American Ceramic Society. 93, 10, p. 3449-3454 6 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules

Shoji, Y., Ikabata, Y., Wang, Q., Nemoto, D., Sakamoto, A., Tanaka, N., Seino, J., Nakai, H. & Fukushima, T., 2017 Feb 22, In : Journal of the American Chemical Society. 139, 7, p. 2728-2733 6 p.

Research output: Contribution to journalArticle

89 Citations (Scopus)

Unveiling Controlling Factors of the S0/S1 Minimum Energy Conical Intersection: A Theoretical Study

Nakai, H., Inamori, M., Ikabata, Y. & Wang, Q., 2018 Jan 1, (Accepted/In press) In : Journal of Physical Chemistry A.

Research output: Contribution to journalArticle

3 Citations (Scopus)

UV-visible, 1H and 13C NMR spectroscopic studies on the interaction between protons or alkaline earth metal ions and the benzoate ion in acetonitrile

Hojo, M., Ueda, T., Ike, M., Kobayashi, M. & Nakai, H., 2009 May 15, In : Journal of Molecular Liquids. 145, 3, p. 152-157 6 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)
20 Citations (Scopus)

Virtual reaction condition optimization based on machine learning for a small number of experiments in high-dimensional continuous and discrete variables

Fujinami, M., Seino, J., Nukazawa, T., Ishida, S., Iwamoto, T. & Nakai, H., 2019 Jan 1, In : Chemistry Letters. 48, 8, p. 961-964 4 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Wavelet transform analysis of ab initio molecular dynamics simulation: Application to core-excitation dynamics of BF3

Otsuka, T. & Nakai, H., 2007 Apr 30, In : Journal of Computational Chemistry. 28, 6, p. 1137-1144 8 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)
26 Citations (Scopus)
46 Citations (Scopus)

π*-σ* hyperconjugation mechanism on the rotational barrier of the methyl group (III): Methyl-azabenzenes in the ground, excited, and anionic states

Kawamura, Y., Nagasawa, T. & Nakai, H., 2001 May 15, In : Journal of Chemical Physics. 114, 19, p. 8357-8363 7 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

π-σ* hyperconjugation mechanism on methyl rotation in cationic state of substituted toluenes

Kawai, M. & Nakai, H., 2001 Nov 15, In : Chemical Physics. 273, 2-3, p. 191-196 6 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)