• 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
1999
37 引用 (Scopus)
1998

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)
1 引用 (Scopus)

Electronic structures of MoF6 and MoOF4 in the ground and excited states: A SAC-CI and frozen-orbital-analysis study

Nakai, H., Morita, H., Tomasello, P. & Nakatsuji, H., 1998 3 12, : : Journal of Physical Chemistry A. 102, 11, p. 2033-2043 11 p.

研究成果: Article

11 引用 (Scopus)

Oxidation mechanism of propylene on an Ag surface: Dipped adcluster model study

Hu, Z. M., Nakai, H. & Nakatsuji, H., 1998 4 10, : : Surface Science. 401, 3, p. 371-391 21 p.

研究成果: Article

43 引用 (Scopus)

Theoretical Study of the Ionized Electronic Structure of the Octahedral Complex MoF6

Morita, H., Nakai, H., Tomasello, P. & Nakatsuji, H., 1998 7, : : Bulletin of the Chemical Society of Japan. 69, 7, p. 1893-1899 7 p.

研究成果: Article

3 引用 (Scopus)
1997

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)

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)
5 引用 (Scopus)

Mechanism of the partial oxidation of ethylene on an Ag surface: Dipped adcluster model study

Nakatsuji, H., Nakai, H., Ikeda, K. & Yamamoto, Y., 1997 7 20, : : Surface Science. 384, 1-3, p. 315-333 19 p.

研究成果: Article

39 引用 (Scopus)
30 引用 (Scopus)
4 引用 (Scopus)
1996

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)

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)

Frozen-orbital analysis of the excited states of metal complexes in high symmetry: Oh case

Nakai, H., Morita, H. & Nakatsuji, H., 1996 12 1, : : Journal of physical chemistry. 100, 39, p. 15753-15759 7 p.

研究成果: Article

8 引用 (Scopus)

Theoretical study on the photostimulated desorption of CO from a Pt surface

Nakatsuji, H., Morita, H., Nakai, H., Murata, Y. & Fukutani, K., 1996 1 1, : : Journal of Chemical Physics. 104, 2, p. 714-726 13 p.

研究成果: Article

32 引用 (Scopus)
1995

Electronic mechanism of the surface enhanced Raman scattering

Nakai, H. & Nakatsuji, H., 1995 1 1, : : The Journal of Chemical Physics. 103, 6, p. 2286-2294 9 p.

研究成果: Article

35 引用 (Scopus)

Theoretical study on the electronic spectrum of TcO4-

Hasegawa, J., Toyota, K., Hada, M., Nakai, H. & Nakatsuji, H., 1995 12 1, : : Theoretica Chimica Acta. 92, 6, p. 351-359 9 p.

研究成果: Article

7 引用 (Scopus)

Theoretical study on the photochemical decomposition reaction of permanganate ion, MnO4-

Nakai, H., Ohmori, Y. & Nakatsuji, H., 1995 1 1, : : Journal of physical chemistry. 99, 21, p. 8550-8555 6 p.

研究成果: Article

16 引用 (Scopus)
1994

Mechanism of photochemical reaction of permanganate ion

Nakai, H. & Nakatsuji, H., 1994 1 1, : : Journal of Molecular Structure: THEOCHEM. 311, p. 141-151 11 p.

研究成果: Article

6 引用 (Scopus)

Mechanism of photochemical reaction of permanganate ion

Nakai, H. & Nakatsuji, H., 1994 1 1, : : Journal of Molecular Structure. 311, p. 141-151 11 p.

研究成果: Article

Theoretical study on the ground and excited states of the chromate anion CrO42-

Jitsuhiro, S., Nakai, H., Hada, M. & Nakatsuji, H., 1994 1 1, : : The Journal of Chemical Physics. 101, 2, p. 1029-1036 8 p.

研究成果: Article

24 引用 (Scopus)
1993
14 引用 (Scopus)
74 引用 (Scopus)

Theoretical study on the methane activation reactions by Pt, Pt+, and Pt- atoms

Hada, M., Nakatsuji, H., Nakai, H., Gyobu, S. & Miki, S., 1993 4 30, : : Journal of Molecular Structure: THEOCHEM. 281, 2-3, p. 207-212 6 p.

研究成果: Article

12 引用 (Scopus)
1992

Potential energy curves of dioxygen anion species, O-2 and O2-2

Nakatsuji, H. & Nakai, H., 1992 9 18, : : Chemical Physics Letters. 197, 4-5, p. 339-345 7 p.

研究成果: Article

35 引用 (Scopus)
1991
37 引用 (Scopus)

Theoretical study on the ground and excited states of MnO4 -

Nakai, H., Ohmori, Y. & Nakatsuji, H., 1991 1 1, : : Journal of Chemical Physics. 95, 11, p. 8287-8291 5 p.

研究成果: Article

54 引用 (Scopus)
1990
47 引用 (Scopus)