活動報告・予告/Annual Reports/高柳研究室2017 のバックアップ差分(No.10)


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*研究室教員 [#g8c6b66c]
-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 [#nabe0d1f]
+"Theoretical analyses of the time-resolved nuclear dynamics of the transition state for the 1, 3, 5, 7-cyclooctatetraene unimolecular reaction" C.Tokizaki, T.Yoshida, T.Takayanagi,'''Comp. Theo. Chem.''',  ''1112'', 20-26 (2017).
+"新しい量子ビーム・ミュオン分光と理論的アプローチ," 飯沼裕美,大場優生,河村成肇,高妻孝光,菅原洋子,高柳敏幸, 立川仁典,'''J. Comput. Chem. Jpn., Vol. 16, No. 1, pp. A12-A17 (2017)'''
+"Photoexcited Ag ejection from a low-temperature He cluster: A simulation study by nonadiabatic Ehrenfest ring-polymer molecular dynamics," Y. Seki, T. Takayanagi, M. Shiga, '''Phys. Chem. Chem. Phys.''', ''19'', pp. 13798-13806, (2017).
+"Theoretical study on anomalous kinetic isotope effects in H/Mu addition to pyrazine: Effects of water microsolvation in solution kinetics," T.Takayanagi, S.Koido, '''Comp. Theo. Chem.''',  ''1115'', 4-12 (2017).

*学会発表 [#oa246020]
-XIV International Workshop on Quantum Reactive Scattering (Trieste, Itaiy, 2017/07/03-06).
--"FREQUENCY-DOMAIN AND TIME-DOMAIN TRANSITION STATE SPECTROSCOPY OF CYCLOOCTATETRAENE",%%%T. Takayanagi%%%, [invited talk]

-CC Symposium of ICCSE 2017 (Thessaloniki, Greece, 2017/04/22-25).
--"A simulation study of photoexcited Ag ejection from low-temperature helium clusters by ring-polymer molecular dynamics", (&super{1};Saitama University,  &super{2};JAEA) %%%SEKI, Yusuke%%%&super{1};;  TAKAYANAGI, Toshiyuki&super{1};; SHIGA, Motoyuki&super{1};, [Poster presentation]
--"Theoretical analyses of the time-resolved nuclear dynamics of the transition state for the cyclooctatetraene unimolecular reaction", (&super{1};Saitama University) %%%TOKIZAKI, Chihiro%%%&super{1};; YOSHIDA, Takahiko&super{1};; TAKAYANAGI, Toshiyuki&super{1};, [Poster presentation]

-33&super{rd}; Symposium on Chemical Kinetics and Dynamics (Nagoya, Japan, 2017/06/07-09).
--"A simulation study of photoexcited Ag ejection from low-temperature helium clusters by ring-polymer molecular dynamics", (&super{1};Saitama University,  &super{2};JAEA) %%%SEKI, Yusuke%%%&super{1};;  TAKAYANAGI, Toshiyuki&super{1};; SHIGA, Motoyuki&super{1};, [Poster presentation]
--"Theoretical analyses of the time-resolved transition state dynamics for  cyclooctatetraene", (&super{1};Saitama University) %%%TOKIZAKI, Chihiro%%%&super{1};; YOSHIDA, Takahiko&super{1};; TAKAYANAGI, Toshiyuki&super{1};, [Poster presentation]
--"Theoretical study of dissociation reaction dynamics induced by positron attachment", (&super{1};Saitama University, &super{2};Yokohama City University) %%%SUZUKI, Kento%%%&super{1};; TAKAYANAGI, Toshiyuki&super{1};; TACHIKAWA, Masanori&super{2};; KITA, Yukiumi&super{2};, [Poster presentation]

*科学研究費補助金 [#b1a0084e]
+平成27-29年度 「全原子を量子論で取り扱う凝縮系化学反応動力学理論の開発」
&br; 研究代表 高柳敏幸 &br;(平成29年度 研究経費 800千円)
+平成28-29年度 「星間分子進化における水素分子触媒機構の寄与に関する理論研究」
&br; 研究代表 高柳敏幸 &br;(平成29年度 研究経費 1,800千円)
+平成29-31年度 「化学反応遷移状態動力学観測の理論設計」
&br; 研究代表 高柳敏幸 &br;(平成29年度 研究経費 2,000千円)