Papers
1. “Theoretical emission spectra of NeAl+ and ArAl+ in the vacuum ultraviolet region,”Nobuyuki Sato, Shinkoh Nanbu, and Suehiro Iwata,
Chem. Phys. Lett. 146, 275-279 (1988).
2. “Theoretical study of the photoabsorption cross sections of HOCl and HOF,”
Shinkoh Nambu, Kazuto Nakata, and Suehiro Iwata,
Chem. Phys. 135, 75-83 (1989).
3. “Theoretical studies of vacuum ultraviolet emission spectra of NeLi+ and ArLi+,”
Suehiro Iwata, Shinkoh Nanbu, and Hideki Kitajima,
J. Chem. Phys. 94, 3707-3714 (1991).
4. “The excimer emission spectra and the interaction potential energy of the ground and excited states of He and alkali metal ion systems,”
Miyabi Hiyama, Shinkoh Nanbu, and Suehiro Iwata,
Chem. Phys. Lett. 192, 443-450 (1992).
5. “Theoretical Study of the Photodissociation Cross Sections and the Photodissociation Dynamics of HOCl,”
Shinkoh Nanbu and Suehiro Iwata,
J. Phys. Chem. 96, 2103-2111 (1992).
6. “Performance of Supercomputers for Computational Chemistry,”
Umpei Nagashima, Shinkoh Nanbu, Fumio Nishimoto, and Nobuhiro Fukusima,
IPSJ Tran. on High Perf. Comp. 46, 29-36 (1993).
7. “Potential energy surfaces of some low-lying states of fluoroformyl radical FCO,”
Shinkoh Nanbu, Masahiro Gomyo, and Suehiro Iwata,
Chem. Phys. 184, 97-106 (1994).
8. “Theoretical study of the potential energy surfaces and dynamics of CaNC/CaCN,”
Shinkoh Nanbu, Satoshi Minamino, and Mutsumi Aoyagi,
J. Chem. Phys. 106, 8073-8083 (1997).
9. “Molecular switching in one-dimensional finite periodic nonadiabatic tunneling potential systems,”
Shinkoh Nanbu, Hiroki Nakamura, and F. O. Goodman,
J. Chem. Phys. 107, 5445-5459 (1997).
10. “Non-adiabatic Bending Dissociation in 16 Valence Electron System OCS,”
Toshinori Suzuki, Hideki Katayanagi, Shinkoh Nanbu, and Mutsumi Aoyagi,
J. Chem. Phys. 109, 5778-5794 (1998).
11. “A Theoretical Study on Structures and Vibrational Spectra of C84 Fullerene Isomers,”
Takeshi Nishikawa, Tomoko Kinoshita, Shinkoh Nanbu, and Mutsumi Aoyagi,
J. Mol. Struct. (THEOCHEM) 461, 453-462, (1998).
12. “Theoretical Study of the Potential Energy Surfaces and Bound States of HCP,”
Shinkoh Nanbu, Stephen K. Gray, Tomoko Kinoshita, and Mutsumi Aoyagi,
J. Chem. Phys. 112, 5866-5876, (2000).
13. “A comparative study of the quantum dynamics and rate constants of the O(3P) + HCl reaction described by two potential surfaces,”
Serigei Skokov, Tomoki Tsuchida, Shinkoh Nanbu, Joel M. Bowman, and Stephen K. Gray,
J. Chem. Phys. 113, 227-236, (2000).
14. “Nuclear motion driven by Renner-Teller effect as observed in the resonant Auger decay to the X2 electronic ground state of N2O+,”
C. Miron, M. Simon, P. Morin, S. Nanbu, N. Kosugi, S. L. Sorensen, A. Naves de Brito, M. N. Piancastelli, O. Bjorneholm, R. Feifel, M. Bassler and S. Svensson,
J. Chem. Phys. 115, 864-868, (2001).
15. “Ab initio Study of p-tert- Butylcalix[4] crown -6-ether Complexed with Alkyl Ammonium Cations,”
Jong-In Choe, Suk-Kyu Chang, Seung Wook Ham, Shinkoh Nanbu, and Mutsumi Aoyagi,
Bull. Korean Chem. Soc. 22, 1248-1254, (2001).
16. “The assignment of the in-plane molecular vibrations of the BDT-TTP electron-donor molecule based on the polarized Raman and infrared spectra, where BDT-TTP is 2,5-bis(1,3-dithol-2-ylidene)-1,3,4,6-tetrathiapentalene,”
J.Ouyang, K. Yakushi, T. Kinoshita, S. Nanbu, M. Aoyagi, Y. Misaki, and K. Tanaka,
Spectrochim. Acta Part A 58, 1643-1656, (2002).
17. “Ab Initio Study of Conformers of p-tert-Butylcalix[4]crown-6-ether Complexed with Alkyl Ammonium Cations,”
Jong-In Choe, Suk-Kyu Chang, and Shinkoh Nanbu,
Bull. Korean Chem. Soc. 23, 891-895, (2002).
18. “Chemical reactions in the O(1D) + HCl system I. Ab initio global potential energy surfaces for the 11A’, 21A’, and 11A'' states,”
S. Nanbu, M. Aoyagi, H. Kamisaka, H. Nakamura, W. Bian, and K. Tanaka,
J. Theo. Comp. Chem. 1, 263-273, (2002).
19. “Chemical reactions in the O(1D) + HCl system II. Dynamics on the ground 11 A' state and contributions of the excited (11A'', and 21A') states,”
H. Kamisaka, H. Nakamura, S. Nanbu, M. Aoyagi, W. Bian, and K. Tanaka,
J. Theo. Comp. Chem. 1, 275-284, (2002).
20. “Chemical reactions in the O(1D) + HCl system III. Quantum dynamics on the excited (11A'', and 21A') potential energy surfaces,''
H. Kamisaka, H. Nakamura, S. Nanbu, M. Aoyagi, W. Bian, and K. Tanaka,
J. Theo. Comp. Chem. 1, 285-293, (2002).
21. “Formation of HCl+ (A2+) and HBr+ (A2+) resulting from He (23S) Penning ionization of HCl and HBr,”
Ikuo Tokue, Hiroyuki Tanaka, Katsuyoshi Yamasaki, and Shinkoh Nanbu,
J. Phys. Chem. A 106, 6068-6074, (2002).
22. “Millimeter-wave Spectroscopy of the Internal Rotation Band of the He-HCN Cluster and Determination of the Empirical Intermolecular Potential Energy Surface,”
K. Harada, K Tanaka, T. Tanaka, S.Nanbu and M. Aoyagi,
J. Chem. Phys. 117, 7041-7050, (2002).
23. “Ab Initio Study of Complexation Behavior of Calix[5]arene Derivative toward Alkyl Ammonium Cations,”
Jong-In Choe, Suk-Kyu Chang, Satoshi Minamino, and Shinkoh Nanbu,
Bull. Korean Chem. Soc. 24, 75-80, (2003).
24. “Theoretical study of vibrational spectra of p-tert-butylcalix[4]crown-6-ether complexed with ethyl ammonium cation,”
S. Minamino, J.-I. Choe, S.-K. Chang, F. Mizutani, and S. Nanbu,
Chem. Phys. Lett. 374, 572-576, (2003).
25. “He (23S) Penning ionization of H2S I. Theoretical Franck-Condon factors for the H2S (X1A1, v'=0) → H2S+ (X2B1, A2A1) ionization and the H2S+ (A-X) transition,”
Ikuo Tokue, Katsuyoshi Yamasaki, and Shinkoh Nanbu,
J. Chem. Phys. 119, 5874-5881,(2003).
26. “He (23S) Penning ionization of H2S II. Formation of the SH+(A3) and H2S+ (A2A1) ions,”
Ikuo Tokue, Katsuyoshi Yamasaki, and Shinkoh Nanbu,
J. Chem. Phys. 119, 5882-5888,(2003).
27. “Theoretical Analysis of the Oxygen Insertion Process in the Reaction of H2O with H-terminated Si(100) Surface,”
H. Watanabe, S. Nanbu, J. Maki, Z.-H. Wang, T. Urisu, M. Aoyagi, and K. Ooi,
Chem. Phys. Lett. 383, 523-527 (2004).
28. “Three Pairs of Doublet Bands Assigned to Scissors Modes of SiH2 on Si(100) Surfaces Observed in Several H2O-induced Oxidation systems,”
Z.-H. Wang, T. Urisu, S. Nanbu, J. Maki, M. Aoyagi, H. Watanabe, and K. Ooi
Phys. Rev. B 69, 045309 (5 pages) (2004).
29. “Ab Initio Study of Complexation Behavior of p-tert-Butylcalix[5]arene Derivative toward Alkyl Ammonium Cations,”
Jong-In Choe, Sang Hyun Lee, Dong-Suk Oh, Suk-Kyu Chang, and Shinkoh Nanbu,
Bull. Korean Chem. Soc. 25, 190-194 (2004).
30. “Analysis of the Ultraviolet Absorption Cross Sections of Six Nitrous Oxide Isotopomers using 3D Wavepacket Propagation,”
Shinkoh Nanbu and Matthew S. Johnson,
Memorial Festschrift for Professor Gert Billing in J. Phys. Chem. A 108, 8905-8913 (2004).
31. “Special issue: Quantum Chemistry Literature Database,”
Hosoya H, Yamabe S, Hashimoto K, Koga N, Matsushita T, Matsuzawa H, Minamino S, Nagashima U, Nanbu S, Nishikawa T, Takano K, Wasada H, Yabushita S, Yamamoto S, Morokuma K, Ohno K, Hada M, Honda K, Iwata S, Kashiwagi H, Nagase S, Nakatsuji H, Noro T, Obara S, Okazaki S, Osamura Y, Tanaka K, Yamashita K,
J. Mole. Struc. THEOCHEM 669: Feb 2004.
32. “Assignment of surface IR absorption spectra observed in the oxidation reactions : 2H + H2O/Si(100) and H2O + H/Si(100) ,”
Z.-H. Wang, T. Urisu, H. Watanabe, K. Ooi, G. R. Rao, S. Nanbu, J. Maki, and M. Aoyagi,
Surface Science 575, 330-342 (2005).
33. “Ab initio potential energy surfaces for the Cyclohexadiene/Hexatriene Photochemical Interconversion,”
Hyroyuki Tamura, Shinkoh Nanbu, Toshimasa ISHIDA, and Hiroki NAKAMURA,
Chem. Phys. Lett. 401, 487-491 (2005).
34. “Theoretical transition probabilities for the A2A1-X2B1 system of H2O+ and D2O+ and related Franck-Condon factors based on global potential energy surfaces,”
Ikuo Tokue, Katsuyoshi Yamasaki, Satoshi Minamino, and Shinkoh Nanbu,
J. Theo. Comp. Chem. 4, 225-245 (2005).
35. “Vibrational energies for the X1A1, A1B1, and B1A1 states of SiH2/SiD2 and related transition probabilities based on global potential energy surfaces,”
Ikuo Tokue, Katsuyoshi Yamasaki, and Shinkoh Nanbu,
J. Chem. Phys. 122, 144307-144316 (2005).
36. “Ab Initio calculated structures of conformers for 1,3-dimethoxy-p-tert-butylcalix[4] crown-5-ether complexed with potassium cation,”
Jong-In Choe, Suk-Kyu Chang, Sik Lee, and Shinkoh Nanbu,
J. Mol. Struct.: THEOCHEM 722, 117-123 (2005).
37. “Fabrication of avidin single molecular layer on silicon oxide surfaces and formation of tethered lipid bilayer membranes,”
R. Tero, N. Misawa, H. Watanabe, S. Yamamura, S. Nambu, Y. Nonogaki and T. Urisu,
e-J. Surf. Sci.Nanotech. 3, 237-243 (2005).
38. “Theoretical study of the oxidation reaction for the H atom-induced water-terminated Si surface 2H + H2O/Si(100)-(2x1),”
Hidekazu Watanabe, Shinkoh Nanbu, Zhi-Hong Wang, Jun Maki, Tsuneo Urisu, Mutsumi Aoyagi, and Kenta Ooi,
Chem. Phys. Lett. 412, 347-352 (2005).
39. “Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling,”
Shinkoh NANBU, Toshimasa ISHIDA, and Hiroki NAKAMURA,
Chem. Phys. (in press).
40. “Theoretical study of the water-induced oxidation reaction on the bare Si surface H2O + Si(100)-(2x1),”
Hidekazu Watanabe, Shinkoh Nanbu, Zhi-Hong Wang, Jun Maki, Tsuneo Urisu, Mutsumi Aoyagi, and Kenta Ooi,
Chem. Phys. Lett. (submitted).
41. “Possibility of the Condensed Layer of the Water Molecules on the Silicon surface Si(100)-(2x1),”
Hidekazu Watanabe, Zhi-Hong Wang, Shinkoh Nanbu, Jun MAKI, Tsuneo Urisu, Mutsumi Aoyagi, and Kenta Ooi,
Chem. Phys. Lett. (submitted).
42. “Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization,”
Hiroyuki Tamura, Shinkoh Nanbu, Toshimasa Ishida, and Hiroki Nakamura,
J. Chem. Phys. (submitted).
43. “Transmission of hydrogen atom through cyclic molecules as a model encapsulation by carbon nanotubes,”
Shinkoh Nanbu, Toshimasa Ishida, and Hiroki Nakamura,
Phys. Rev. Lett. (submitted).
44. “Analysis of the Ultraviolet Absorption Cross Sections of OCS Isotopomers,”
Shinkoh Nanbu and Matthew S. Johnson,
J. Phys. Chem. (in preparation).
