活動報告・予告/Annual Reports/高柳研究室2016 の履歴の現在との差分(No.11)


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*研究室教員 [#p5dc9aa5]
-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]
+"ミュオニウム化学反応の新展開," 高柳敏幸, 吉田崇彦, '''J. Comput. Chem. Jpn., Vol. 15, No. 5, pp. 119-123(2016)'''
+"The effects of water microsolvation on the C&subsc{2};O&subsc{4};&super{-};↔CO&subsc{2};・CO&subsc{2};&super{-}; core switching reaction : perspective from exploration of pathways on the potential energy surfaces of small [(CO&subsc{2};)&subsc{2};(H&subsc{2};O)&subsc{'''n'''};]&super{-}; ('''n''' = 1 and 2) clusters," M.Kondo, T.Takayanagi,'''Comp. Theo. Chem.''', ''1105'', 61-68 (2017).
+"Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule," T.Takayanagi, K.Suzuki, T.Yoshida, Y.Kita, M.Tachikawa,'''Chem.Phys.Lett.''', ''675'', 118-123 (2017).
*学会発表 [#k73e79cf]
-32&super{nd}; Symposium on Chemical Kinetics and Dynamics (Saitama, JAPAN, 2016/06/01-03).
--"Quantum dynamics study on bond-selected dissociative electron attachment of HDO", (&super{1};Saitama University) %%%YOSHIDA, Takahiko%%%&super{1};;  TAKAYANAGI, Toshiyuki&super{1};, [Poster presentation]
--"Quantum chemical calculations of electron attachment to isolated sugar 
molecules", (&super{1};Saitama University) %%%KONDO, Manami%%%&super{1};;  FUJITA, Tomoki; TAKAYANAGI, Toshiyuki&super{1};, [Poster presentation]
--"Quantum transition state dynamics of the cyclooctatetraene unimolecular  reacton on ab initio potential energy surfaces", (&super{1};Saitama University) %%%TOKIZAKI, Chihiro%%%&super{1};; YOSHIDA, Takahiko&super{1};;  TAKAYANAGI, Toshiyuki&super{1};, [Poster presentation]
--"Ring-polymer molecular dynamics study of photoexcitation of silver atom in helium clusters", (&super{1};Saitama University) %%%SEKI, Yusuke%%%&super{1};; YOSHIDA, Takahiko&super{1};;  TAKAYANAGI, Toshiyuki&super{1};, [Poster presentation]

-Resonance and Non-Hermitian Quantum Mechanics 2016 (Osaka,JAPAN,2016/8/3-5).
--"Theoretical analyses of transition state spectroscopy of chemical reactions:on the relation between transition state structure and quantum resonance",%%%T. Takayanagi%%%, [invited talk]

-化学反応経路探索のニューフロンティア2016(京都, 2016/09/12).
--"シクロオクタテトラエン単分子反応における遷移状態ダイナミクスの理論研究", (埼玉大院・理工) %%%鴇崎千裕%%%, 吉田崇彦, 高柳敏幸 [ポスター発表].

-第10回分子科学討論会(東京, 2016/09/13-15).
--"HDO分子の解離性電子付着過程におけるOH/OD結合解離の選択性についての理論研究", (埼玉大院・理工) %%%吉田崇彦%%%, 高柳敏幸 [口頭発表].
--"RPMDを用いたAg-He&subsc{n};クラスターの光励起反応動力学", (埼玉大院・理工&super{1};, 日本原子力研究開発機構&super{2};) %%%関悠佑%%%&super{1};, 吉田崇彦&super{1};, 高柳敏幸&super{1};, 志賀基之&super{2}; [ポスター発表].

-EMN Meeting on Computation and Theory Energy Materials Nanotechnology (Las Vegas,NV USA,2016/10-10-14).
--"Quantum dynamics study on electron attachment to molecules and clusters",%%%T. Takayanagi%%%, [invited talk]

-Stereodynamics2016 (Academia Sinica, Taipei, Taiwan, 2016/11/06-11).
--"Quantum Transition State Dynamics of The Cyclooctatetraene Unimolecular Reaction ", (&super{1};Saitama University) %%%Chihiro Tokizaki%%%&super{1};, Takahiko Yoshida&super{1};, Toshiyuki Takayanagi&super{1}; [Poster presentation]
--"Ring-Polymer Molecular Dynamics Study of Photoexcitation of the Silver Atom in Helium Clusters", (&super{1};Saitama University,&super{2};Japan Atomic Energy Agency) %%%Yusuke Seki%%%&super{1};, Takahiko Yoshida&super{1};,  Toshiyuki Takayanagi&super{1};, Motoyuki Shiga&super{2}; [Poster presentation]
--"Theoretical study for dissociative electron attachment to HOD
and possibility of selective bond dissociation", (&super{1};Saitama University) %%%Takahiko Yoshida%%%&super{1};, Toshiyuki Takayanagi&super{1}; [Poster presentation]

-第17回大つくば物理化学セミナー(鋸南, 2016/11/26-27).
--"陽電子付着によって誘起される反応ダイナミクスの理論研究", (埼玉大学) %%%鈴木健人%%%
--"量子ヘリウムクラスター中の原子光励起ダイナミクスの理論研究", (埼玉大学) %%%関悠佑%%%

-BIT's 5th Annual Conference of AnalytiX-2017 (Fukuoka,JAPAN,2017/3/22-24).
--"Theoretical analyses of transition state spectra of chemical reactions",%%%T. Takayanagi%%%, [invited talk]

*科学研究費補助金 [#q05d0b43]
+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28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28年度 研究経費 1,800千円)