活動報告・予告/Annual Reports/高柳研究室2012 の履歴(No.10)
研究室教員†
発表論文†
- "Real Wave Packet and Flux Analysis Studies of the H + F2 -> HF + F Reaction," F. Gogtas, E. Karabulut, T. Tanaka, T. Takayanagi and R. Tutuk, Int. J. Quantum. Chem., 112, 2348-2354 (2012).
- "Rare gas bond property of Rg-Be2O2 and Rg-Be2O2-Rg (Rg = He, Ne, Ar, Kr and Xe) as a comparison with Rg-BeO," T. Kobayashi, Y. Kohno, T. Takayanagi, K. Seki and K. Ueda, Comp. Theo. Chem., 991, 48-55 (2012).
- "Ab initio prediction of vibrational states of the HeCuF helium-containing complex," T. Tanaka, T. Takayanagi, T. Taketsugu, and Y. Ono, Chem. Phys. Lett., 539-540, 15-18 (2012).
- "A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory," Y.Sugioka, T.Takayanagi, Chem. Phys., 405, 189-196 (2012).
学会発表†
- 第28回化学反応討論会(福岡, 2012/06/06-08).
- "Theoretical study on the mechanisms of Hydrogen diffusion and isotope effects in Fe by path integral molecular dynamics simulations," (埼玉大学1, JAEA2) 吉川武宏1,益子拓朗1,菅原修一1, 高柳敏幸1, 志賀基之2, [ポスター発表].
- Advances in Quantum Chemistry: Interfacing Electronic Structure with Dynamics (Minneapolis, USA, 2012/06/20-22)
- "Nuclear quantum effects in complex hydrogen-bonding systems," (Saitama univ.) T. Takayanagi [invited talk]
外部資金獲得状況†
- 2012～14年度 基盤研究(C) 研究代表者：高柳敏幸 低エネルギー電子による生体損傷機構の分子論的理解の深化 2,730千円 (2012年度)
