活動報告・予告/Annual Reports/高柳研究室2019 の変更点


#norelated
*研究室教員 [#l3604580]
-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 [#z0b2702f]
+"Positron binding to hydrocarbon molecules: Calculation using the positron-electron correlation polarization potential" Y. Sugiura, T. Takayanagi, Y. Kita, M. Tachikawa '''Eur. Phys. J. D''', ''73'':162 (2019)
+"Theoretical Study on the Spectroscopic Observation of Intersystem Crossing between &super{3};B&subsc{1}; and &super{1};A&subsc{1}; States of GeH&subsc{2}; Using the GeH&subsc{2};&super{−}; (&super{2};B&subsc{1};) Anion" Y. Watabe, T. Miyazaki, T. Takayanagi, Y. Suzuki '''J. Phys. Chem.A''', ''123'', 27, 5734-5740 (2019)
+"Ionization dynamics of Ne-doped helium clusters at low temperature: Ring-polymer molecular dynamics simulations including electronically nonadiabatic transitions" T. Miyazaki, T. Takayanagi, '''Comp. Theo. Chem.''', ''1163'', 112537 (2019)
+"Computational analysis of two-state reactivity in β-hydride elimination mechanisms of Fe(II) and Co(II)-alkyl complexes supported by β-diketiminate ligand" T. Takayanagi, K. Saito, H. Suzuki, Y. Watabe, T. Fujihara, '''Organometallics''', ''38'', 3582-3589 (2019)



*総説,雑誌(日本語) [#w1f757e7]


*学会発表 [#c8895d7a]
-2019 International Symposium on Quantum Effects in Chemistry and Biology (Shanghai, China, 2019/6/1-3)
--"Transition State Spectroscopy: Theoretical Analyses", %%%T. Takayanagi%%% [invited talk]
-102&super{nd}; Canadian Chemistry Conference and Exhibition (Québec, Canada, 2019/6/3-7)
--"Quantum simulations for real-time dynamics of pure and impurity-doped helium clusters at low temperature", %%%T. Takayanagi%%% [invited talk]
-15&super{th}; International Workshop on Quantum Reactive Scattering(QRS2019)  (Saitama, Japan, 2019/7/1-5)
--"Theoretical studies of chemical reactions for biomolecules induced by positron attachment", (&super{1};Saitama University, &super{2};Yokohama City University) %%%Yutaro Sugiura%%%&super{1};, Kento Suzuki&super{1};, Toshiyuki Takayanagi&super{1};, Yukiumi Kita&super{2};, Masanori Tachikawa&super{2}; [Poster presentation]
--"Theoretical Investigation of Spin-Forbidden Mechanism in Simple Chemical Reaction", (Saitama University) %%%Yuya Watabe%%%, Shoichi Koido, Taiki Nakatomi, Takaaki Miyazaki, Toshiyuki Takayanagi" [Poster presentation]
--"Quantum molecular dynamics simulations of pure and Ne-Doped helium clusters", (Saitama University) %%%Takaaki Miyazaki%%%, Toshiyuki Takayanagi [Poster presentation]
-XX International Workshop on Low-Energy Positron and Positronium Physics XXI International Symposium on Electron-Molecule Collisions and Swarms(POSMOL2019), (Belgrade, Serbia, 2019/7/18-21)
--"Theoretical Study of Proton Transfer Reactions Induced by Positron Attachment", (&super{1};Saitama University, &super{2};Yokohama City University) %%%Yutaro Sugiura%%%&super{1};, Kento Suzuki&super{1};, Toshiyuki Takayanagi&super{1};, Yukiumi Kita&super{2};, Masanori Tachikawa&super{2}; [Poster presentation]
-化学反応経路探索のニューフロンティア2019(名古屋, 2019/09/16).
--"水素原子移動を伴ったスピン反転機構の研究", (埼玉大院) %%%渡部祐也%%%, 小井圡勝一,中冨大喜,高柳敏幸 [ポスター発表].
--"β-ヒドリド脱離反応におけるスピン反転機構", (埼玉大・理) %%%齋藤滉平%%%, %%%鈴木春哉%%%, 渡部祐也, 高柳敏幸 [ポスター発表].
-第13回分子科学討論会 (名古屋, 2018/09/17-20).
--"炭化水素における陽電子束縛エネルギーの理論計算", (埼玉大院&super{1};,横浜市大・生命ナノ&super{2};) %%%杉浦悠太郎%%%&super{1};, 高柳敏幸&super{1};, 北幸海&super{2};, 立川仁典&super{2}; [ポスター発表].
--"Ne原子をドープしたHeクラスターのイオン化ダイナミクス", (埼玉大院) %%%宮崎貴暉%%%,高柳敏幸 [ポスター発表].
--"GeH&subsc{2}; (&super{1};A&subsc{1};, &super{3};B&subsc{1};) のスピン反転機構の理論研究", (埼玉大院&super{1};,北海道医療大・人間基礎科学&super{2};) %%%渡部 祐也%%%&super{1};,宮崎 貴暉&super{1};,鈴木 喜一&super{2};,高柳 敏幸&super{1}; [ポスター発表].
-International Conference on Theoretical and High Performance Computational Chemistry 2019(ICT-HPCC19) (Guiyang, China 2019/11/2-5)
--"Nonadiabatic quantum dynamics study of transition-state spectroscopy", %%%T. Takayanagi%%% [invited talk]
*科学研究費補助金 [#v6c08721]
+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31年度 研究経費 800千円)
+平成31-33年度 「生体関連分子を対象とした陽電子化学反応理論の創成」
&br; 研究代表 高柳敏幸 &br;(平成31年度 研究経費 1,700千円)