• 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
Article

2H- And13C-labelling studies on skeletal reorganization of 1,6-enynes

Nakai, H. & Chatani, N., 2007 12 5, : : Chemistry Letters. 36, 12, p. 1494-1495 2 p.

研究成果: Article

23 引用 (Scopus)

Ab initio MD simulation of collision reaction between ammonia cluster ion and ammonia monomer

Nakai, H., Yamauchi, Y., Matsuda, A., Okada, Y. & Takeuchi, K., 2002 9 13, : : Journal of Molecular Structure: THEOCHEM. 592, 1-3, p. 61-67 7 p.

研究成果: Article

7 引用 (Scopus)
6 引用 (Scopus)

Ab initio molecular dynamics study on the excitation dynamics of psoralen compounds

Nakai, H., Yamauchi, Y., Nakata, A., Baba, T. & Takahashi, H., 2003 8 22, : : Journal of Chemical Physics. 119, 8, p. 4223-4228 6 p.

研究成果: Article

12 引用 (Scopus)

Ab initio molecular orbital model of scanning tunneling microscopy

Fujita, T., Nakai, H. & Nakatsuji, H., 1996 1 1, : : Journal of Chemical Physics. 104, 6, p. 2410-2417 8 p.

研究成果: Article

71 引用 (Scopus)

Ab initio molecular orbital model of scanning tunneling microscopy. Benzene and benzene adsorbed on a Ag surface

Hidaka, M., Fujita, T., Nakai, H. & Nakatsuji, H., 1997 1 10, : : Chemical Physics Letters. 264, 3-4, p. 371-375 5 p.

研究成果: Article

1 引用 (Scopus)
5 引用 (Scopus)
33 引用 (Scopus)
39 引用 (Scopus)
16 引用 (Scopus)
5 引用 (Scopus)
12 引用 (Scopus)
2 引用 (Scopus)
4 引用 (Scopus)

Activation of O2 on Cu, Ag, and Au surfaces for the epoxidation of ethylene: Dipped adcluster model study

Nakatsuji, H., Hu, Z. M., Nakai, H. & Ikeda, K., 1997 10 8, : : Surface Science. 387, 1-3, p. 328-341 14 p.

研究成果: Article

65 引用 (Scopus)
4 引用 (Scopus)

Agglomeration Suppression of a Fe-Supported Catalyst and its Utilization for Low-Temperature Ammonia Synthesis in an Electric Field

Sakai, R., Murakami, K., Mizutani, Y., Tanaka, Y., Hayashi, S., Ishikawa, A., Higo, T., Ogo, S., Tsuneki, H., Nakai, H. & Sekine, Y., 2020 3 31, : : ACS Omega. 5, 12, p. 6846-6851 6 p.

研究成果: Article

公開
30 引用 (Scopus)
120 引用 (Scopus)
32 引用 (Scopus)

Analysis on excitation of molecules with Ih symmetry: Frozen orbital analysis and general rules

Baba, T., Imamura, Y., Okamoto, M. & Nakai, H., 2008 3 5, : : Chemistry Letters. 37, 3, p. 322-323 2 p.

研究成果: Article

4 引用 (Scopus)
12 引用 (Scopus)
20 引用 (Scopus)

An extension of ab initio molecular orbital theory to nuclear motion

Tachikawa, M., Mori, K., Nakai, H. & Iguchi, K., 1998, : : Chemical Physics Letters. 290, 4-6, p. 437-442 6 p.

研究成果: Article

174 引用 (Scopus)

Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction

Baba, T., Ishii, M., Kikuchi, Y. & Nakai, H., 2007 5 5, : : Chemistry Letters. 36, 5, p. 616-617 2 p.

研究成果: Article

10 引用 (Scopus)
13 引用 (Scopus)

Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory

Tsuchimochi, T., Kobayashi, M., Nakata, A., Imamura, Y. & Nakai, H., 2008 11 15, : : Journal of Computational Chemistry. 29, 14, p. 2311-2316 6 p.

研究成果: Article

19 引用 (Scopus)
6 引用 (Scopus)
3 引用 (Scopus)
1 引用 (Scopus)
4 引用 (Scopus)

A unified approach to the analysis of the chemical bond in hydrides and hydrocarbons

Shinzato, Y., Yukawa, H., Morinaga, M., Baba, T. & Nakai, H., 2007 12 1, : : Acta Materialia. 55, 20, p. 6673-6680 8 p.

研究成果: Article

11 引用 (Scopus)

Bond energy analysis revisited and designed toward a rigorous methodology

Nakai, H., Ohashi, H., Imamura, Y. & Kikuchi, Y., 2011 9 28, : : Journal of Chemical Physics. 135, 12, 124105.

研究成果: Article

2 引用 (Scopus)

Bond Energy Density Analysis Combined with Informatics Technique

Nakai, H., Seino, J. & Nakamura, K., 2019 9 12, : : The journal of physical chemistry. A. 123, 36, p. 7777-7784 8 p.

研究成果: Article

Catalytic Dehydrogenation of Ethane over Doped Perovskite via the Mars-van Krevelen Mechanism

Toko, K., Ito, K., Saito, H., Hosono, Y., Murakami, K., Misaki, S., Higo, T., Ogo, S., Tsuneki, H., Maeda, S., Hashimoto, K., Nakai, H. & Sekine, Y., 2020 5 14, : : Journal of Physical Chemistry C. 124, 19, p. 10462-10469 8 p.

研究成果: Article

1 引用 (Scopus)
20 引用 (Scopus)
4 引用 (Scopus)

CO and NO adsorption on copper-containing zeolite. A theoretical ab initio study

Zhanpeisov, N. U., Nakatsuji, H., Hada, M., Nakai, H. & Anpo, M., 1996 12, : : Catalysis Letters. 42, 3-4, p. 173-176 4 p.

研究成果: Article

29 引用 (Scopus)
27 引用 (Scopus)
9 引用 (Scopus)
6 引用 (Scopus)

Confined water-mediated high proton conduction in hydrophobic channel of a synthetic nanotube

Otake, K. I., Otsubo, K., Komatsu, T., Dekura, S., Taylor, J. M., Ikeda, R., Sugimoto, K., Fujiwara, A., Chou, C. P., Sakti, A. W., Nishimura, Y., Nakai, H. & Kitagawa, H., 2020 12 1, : : Nature communications. 11, 1, 843.

研究成果: Article

公開
5 引用 (Scopus)
2 引用 (Scopus)
20 引用 (Scopus)

Cristaxenicin A, an antiprotozoal xenicane diterpenoid from the deep sea gorgonian acanthoprimnoa cristata

Ishigami, S. T., Goto, Y., Inoue, N., Kawazu, S. I., Matsumoto, Y., Imahara, Y., Tarumi, M., Nakai, H., Fusetani, N. & Nakao, Y., 2012 12 7, : : Journal of Organic Chemistry. 77, 23, p. 10962-10966 5 p.

研究成果: Article

18 引用 (Scopus)
11 引用 (Scopus)
1 引用 (Scopus)
166 引用 (Scopus)

Density functional study on core ionization spectra of cytidine and its fragments

Thompson, A., Saha, S., Wang, F., Tsuehimoehi, T., Nakata, A., Imamura, Y. & Nakai, H., 2009 3 24, : : Bulletin of the Chemical Society of Japan. 82, 2, p. 187-195 9 p.

研究成果: Article

15 引用 (Scopus)
12 引用 (Scopus)