• 5574 引用
  • 37 h指数
1990 …2020

年単位の研究成果

Pureに変更を加えた場合、すぐここに表示されます。

研究成果

フィルター
Article
2018
5 引用 (Scopus)
5 引用 (Scopus)
2017
6 引用 (Scopus)
1 引用 (Scopus)
8 引用 (Scopus)
9 引用 (Scopus)
4 引用 (Scopus)
1 引用 (Scopus)
18 引用 (Scopus)
19 引用 (Scopus)
4 引用 (Scopus)

Electrocatalytic synthesis of ammonia by surface proton hopping

Manabe, R., Nakatsubo, H., Gondo, A., Murakami, K., Ogo, S., Tsuneki, H., Ikeda, M., Ishikawa, A., Nakai, H. & Sekine, Y., 2017, : : Chemical Science. 8, 8, p. 5434-5439 6 p.

研究成果: Article

27 引用 (Scopus)

Near-infrared absorption of π-stacking columns composed of trioxotriangulene neutral radicals

Ikabata, Y., Wang, Q., Yoshikawa, T., Ueda, A., Murata, T., Kariyazono, K., Moriguchi, M., Okamoto, H., Morita, Y. & Nakai, H., 2017 12 1, : : npj Quantum Materials. 2, 1, 33.

研究成果: Article

10 引用 (Scopus)
5 引用 (Scopus)
2 引用 (Scopus)
6 引用 (Scopus)
81 引用 (Scopus)
2 引用 (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 2 22, : : Journal of the American Chemical Society. 139, 7, p. 2728-2733 6 p.

研究成果: Article

101 引用 (Scopus)
2016
3 引用 (Scopus)
20 引用 (Scopus)
24 引用 (Scopus)
4 引用 (Scopus)
8 引用 (Scopus)

Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules

Ishikawa, A., Kamata, M. & Nakai, H., 2016 7 1, : : Chemical Physics Letters. 655-656, p. 103-109 7 p.

研究成果: Article

2 引用 (Scopus)

Quantum chemistry beyond Born–Oppenheimer approximation on a quantum computer: A simulated phase estimation study

Veis, L., Višňák, J., Nishizawa, H., Nakai, H. & Pittner, J., 2016 9 15, : : International Journal of Quantum Chemistry. 116, 18, p. 1328-1336 9 p.

研究成果: Article

5 引用 (Scopus)

Relativistic frozen core potential scheme with relaxation of core electrons

Nakajima, Y., Seino, J., Hayami, M. & Nakai, H., 2016 10 16, : : Chemical Physics Letters. 663, p. 97-103 7 p.

研究成果: Article

2 引用 (Scopus)
6 引用 (Scopus)
46 引用 (Scopus)
2015
4 引用 (Scopus)
4 引用 (Scopus)

Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

Cho, D., Ko, K. C., Ikabata, Y., Wakayama, K., Yoshikawa, T., Nakai, H. & Lee, J. Y., 2015 1 14, : : Journal of Chemical Physics. 142, 2, 024318.

研究成果: Article

14 引用 (Scopus)
2 引用 (Scopus)
17 引用 (Scopus)

Local response dispersion method in periodic systems: Implementation and assessment

Ikabata, Y., Tsukamoto, Y., Imamura, Y. & Nakai, H., 2015 2 15, : : Journal of Computational Chemistry. 36, 5, p. 303-311 9 p.

研究成果: Article

2 引用 (Scopus)
7 引用 (Scopus)

Revisiting the extrapolation of correlation energies to complete basis set limit

Okoshi, M., Atsumi, T. & Nakai, H., 2015 5 30, : : Journal of Computational Chemistry. 36, 14, p. 1075-1082 8 p.

研究成果: Article

21 引用 (Scopus)

Theoretical analysis of the oxidation potentials of organic electrolyte solvents

Okoshi, M., Ishikawa, A., Kawamura, Y. & Nakai, H., 2015, : : ECS Electrochemistry Letters. 4, 9, p. A103-A105

研究成果: Article

4 引用 (Scopus)
6 引用 (Scopus)
2014
2 引用 (Scopus)
4 引用 (Scopus)
10 引用 (Scopus)

Improving quasiparticle second order electron propagator calculations with the spin-component-scaled technique

Romero, J., Charry, J. A., Nakai, H. & Reyes, A., 2014 1 20, : : Chemical Physics Letters. 591, p. 82-87 6 p.

研究成果: Article

6 引用 (Scopus)
13 引用 (Scopus)

Theoretical study on the selective fluorescence of PicoGreen: Binding models and photophysical properties

Okoshi, M., Saparpakorn, P., Takada, Y., Hannongbua, S. & Nakai, H., 2014 2 26, : : Bulletin of the Chemical Society of Japan. 87, 2, p. 267-273 7 p.

研究成果: Article

2 引用 (Scopus)
2013
16 引用 (Scopus)
5 引用 (Scopus)
12 引用 (Scopus)