#norelated
*研究室教員 [#p5dc9aa5]
-教授 高柳 敏幸
*発表論文 [#pb8f653f]
+"Real Wave Packet and Flux Analysis Studies of the H + F&subsc{2}; -> 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-Be&subsc{2};O&subsc{2}; and Rg-Be&subsc{2};O&subsc{2};-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.''', '''in press'''.
*学会発表 [#k73e79cf]
-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&super{1};, JAEA&super{2};) 吉川武宏&super{1};,益子拓朗&super{1};,菅原修一&super{1};, 高柳敏幸&super{1};, 志賀基之&super{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 [#h8837a72]
+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)
