- 追加された行はこの色です。
- 削除された行はこの色です。
#norelated
*研究室教員 [#p5dc9aa5]
-教授 高柳 敏幸
-教授 高柳 敏幸[[（研究室Webページ）:http://www.chem.saitama-u.ac.jp/takayanagi-lab/index.html]]
-Researcher ID: [[F-1020-2012:http://www.researcherid.com/rid/F-1020-2012]]
*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).
+"Real Wave Packet and Flux Analysis Studies of the H + F&subsc{2}; -> HF + F Reaction," F. Gogtas, E. Karabulut, T. Tanaka, T. Takayanagi, 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, 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, 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).
+"Application of ring-polymer molecular dynamics to electronically nonadiabatic excess electron dynamics in water clusters: importance of nuclear quantum effects," T. Yoshikawa, T. Takayanagi, '''Chem. Phys. Lett'''., ''564'', 1-5(2013) (selected as an editor's choice article).
*学会発表 [#k73e79cf]
-Yukawa Institute of Theoretical Physics(Kyoto, 2012/12/11-13).
--"Resonances in chemical reactions: theory and experiment",(Saitama Univ.) T. Takayanagi, [invited talk, chair person(12/12)]
-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&super{1};, 阪大院基礎工&super{2};, JAEA&super{3};) 吉川武宏&super{1};, 高柳敏幸&super{1};, 君塚肇 &super{2};, 志賀基之&super{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&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].
--"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 [oral presentation]
--"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 2,100千円 (2012年度)
