活動報告・予告/Annual Reports/高柳研究室2012 の履歴(No.13)

研究室教員†

"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).
"Quantum−Thermal Crossover of Hydrogen and Tritium Diffusion in α-Iron," T. Yoshikawa, T. Takayanagi, H. Kimizuka, M. Shiga, J. Phys. Chem. C, 116, 23113-23119 (2012).

第26回分子シミュレーション討論会(福岡, 2012/11/26-28).
- "α-Fe中での水素同位体の量子的拡散ダイナミクス",'(埼玉大院理工1, 阪大院基礎工2, JAEA3) 吉川武宏1, 高柳敏幸1, 君塚肇 2, 志賀基之3, [口頭発表].
化学反応経路探索のニューフロンティア２０１２(東京, 2012/09/21-22).
- "アミノアセトニトリル関連分子の合成経路の探索", (埼玉大学) 本田知大, 千葉幸枝, 佐藤和宇眞, 高柳敏幸, [ポスター発表].
第6回分子科学討論会(東京, 2012/09/18-21).
- "多原子分子の全自由度を考慮した解離性電子付着断面積の計算方法の開発", (埼玉大院・理工) 杉岡雄仁, 高柳敏幸, [ポスター発表].
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]