• 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
2006
30 引用 (Scopus)
17 引用 (Scopus)
13 引用 (Scopus)
54 引用 (Scopus)
31 引用 (Scopus)

Natural atomic orbital based energy density analysis: Implementation and applications

Baba, T., Takeuchi, M. & Nakai, H., 2006 6 12, : : Chemical Physics Letters. 424, 1-3, p. 193-198 6 p.

研究成果: Article

23 引用 (Scopus)

Non-Born-Oppenheimer effects predicted by translation-free nuclear orbital plus molecular orbital method

Sodeyama, K., Miyamoto, K. & Nakai, H., 2006 4 3, : : Chemical Physics Letters. 421, 1-3, p. 72-76 5 p.

研究成果: Article

21 引用 (Scopus)
56 引用 (Scopus)
30 引用 (Scopus)
57 引用 (Scopus)
2005
4 引用 (Scopus)
9 引用 (Scopus)
19 引用 (Scopus)

Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory

Nakai, H., Hoshino, M., Miyamoto, K. & Hyodo, S., 2005 4 22, : : Journal of Chemical Physics. 122, 16, 164101.

研究成果: Article

50 引用 (Scopus)

Energy density analysis of embedded cluster models for an MgO crystal

Kawamura, Y. & Nakai, H., 2005 7 10, : : Chemical Physics Letters. 410, 1-3, p. 64-69 6 p.

研究成果: Article

16 引用 (Scopus)
34 引用 (Scopus)
25 引用 (Scopus)
6 引用 (Scopus)

Principal component analysis with energy density of Calophyllum coumarins

Takeuchi, M., Nakata, A. & Nakai, H., 2005 6 5, : : Chemistry Letters. 34, 6, p. 844-845 2 p.

研究成果: Article

11 引用 (Scopus)
11 引用 (Scopus)

Synthesis of the pivalamidate-bridged pentanuclear platinum(II,III) linear complexes with Pt⋯Pt interactions

Matsumoto, K., Arai, S., Ochiai, M., Chen, W., Nakata, A., Nakai, H. & Kinoshita, S., 2005 11 14, : : Inorganic Chemistry. 44, 23, p. 8552-8560 9 p.

研究成果: Article

27 引用 (Scopus)

Theoretical study on excitation dynamics of 5-dibenzosuberene and its derivatives

Nakai, H. & Baba, T., 2005 2 14, : : Journal of Molecular Structure. 735-736, SPEC. ISS., p. 211-216 6 p.

研究成果: Article

2 引用 (Scopus)
2004
5 引用 (Scopus)
30 引用 (Scopus)
27 引用 (Scopus)
9 引用 (Scopus)
11 引用 (Scopus)
14 引用 (Scopus)

Theoretical Study on the Excited States of Psoralen Compounds Bonded to a Thymine Residue

Nakata, A., Baba, T., Takahashi, H. & Nakai, H., 2004 1 30, : : Journal of Computational Chemistry. 25, 2, p. 179-188 10 p.

研究成果: Article

12 引用 (Scopus)
2003

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)
21 引用 (Scopus)

Energy density analysis of internal methyl rotations in halogenated toluenes

Kawamura, Y. & Nakai, H., 2003 1 24, : : Chemical Physics Letters. 368, 5-6, p. 673-679 7 p.

研究成果: Article

23 引用 (Scopus)
71 引用 (Scopus)

Reactions of protonated water clusters H+(H2O) n (n = 1-6) with dimethylsulfoxide in a guided ion beam apparatus

Kawai, Y., Yamaguchi, S., Okada, Y., Takeuchi, K., Yamauchi, Y., Ozawa, S. & Nakai, H., 2003 8 8, : : Chemical Physics Letters. 377, 1-2, p. 69-73 5 p.

研究成果: Article

28 引用 (Scopus)

Size-Dependent Reaction Cross Section of Protonated Water Clusters H +(H2O)n (n = 2-11) with D2O

Yamaguchi, S., Kudoh, S., Okada, Y., Orii, T., Takeuchi, K., Ichikawa, T. & Nakai, H., 2003 12 18, : : Journal of Physical Chemistry A. 107, 50, p. 10904-10910 7 p.

研究成果: Article

16 引用 (Scopus)
2002

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)

DFT calculation analysis of the infrared spectra of ethylene adsorbed on Cu(110), Pd(110), and Ag(110)

Itoh, K., Kiyohara, T., Shinohara, H., Ohe, C., Kawamura, Y. & Nakai, H., 2002 10 17, : : Journal of Physical Chemistry B. 106, 41, p. 10714-10721 8 p.

研究成果: Article

29 引用 (Scopus)
28 引用 (Scopus)

Energy density analysis with Kohn-Sham orbitals

Nakai, H., 2002 9 2, : : Chemical Physics Letters. 363, 1-2, p. 73-79 7 p.

研究成果: Article

91 引用 (Scopus)
107 引用 (Scopus)
2001
33 引用 (Scopus)

Molecular orbital study on the reaction mechanisms of electroless deposition processes

Homma, T., Komatsu, I., Tamaki, A., Nakai, H. & Osaka, T., 2001 9 1, : : Electrochimica Acta. 47, 1, p. 47-53 7 p.

研究成果: Article

49 引用 (Scopus)
56 引用 (Scopus)
14 引用 (Scopus)
10 引用 (Scopus)
2000

Theoretical study on ammonia cluster ions: Nature of thermodynamic magic number

Nakai, H., Goto, T., Ichikawa, T., Okada, Y., Orii, T. & Takeuchi, K., 2000 12 15, : : Chemical Physics. 262, 2-3, p. 201-210 10 p.

研究成果: Article

15 引用 (Scopus)

Theoretical study on ammonia cluster ions: Nature of kinetic magic number

Nakai, H., Goto, T., Okada, Y., Orii, T., Takeuchi, K., Ichihashi, M. & Kondow, T., 2000 5 1, : : Journal of Chemical Physics. 112, 17, p. 7409-7415 7 p.

研究成果: Article

7 引用 (Scopus)
46 引用 (Scopus)
26 引用 (Scopus)
1999
39 引用 (Scopus)