#norelated
*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]
+"Direct dynamics study of the N(&super{4};S) + CH&subsc{3};(&super{2};A&subsc{2};") reaction," S.Chiba, T.Honda, M.Kondo, T.Takayanagi, '''Comp.Theo.Chem.''', ''1061'', 46-51 (2015).
+"From photoelectron detachment spectra of BrHBr&super{-};, BrDBr&super{-}; and IHI&super{-};, IDI&super{-}; to vibrational bonding of BrMuBr and IMuI," J. Manz, K. Sato, T. Takayanagi T. Yoshida, '''J. Chem. Phys.''', ''142'', 164308 (2015).
+"First-Principles Simulations of Transition State Spectra of the I + HI and I + DI Reactions and Vibrational Bonding in IMuI," T. Yoshida, K. Sato, T. Takayanagi, '''Chem. Phys.''', ''457'', 51-56 (2015).
+"Theoretical analysis of the transition-state spectrum of the cyclooctatetraene unimolecular reaction: Three degree-of-freedom model calculations," T. Yoshida, C. Tokizaki, T. Takayanagi, '''Chem. Phys. Lett.''', ''634'', 134-139 (2015).
+"Electron accommodation dynamics in the DNA base thymine," S. B. King, A. B. Stephansen, Y. Yokoi, M. A. Yandell, A. Kunin, T. Takayanagi, D. M. Neumark, '''J. Chem. Phys.''', ''143'', 024312 (2015).
+"Dynamics of dipole- and valence bound anions in iodide-adenine binary complexes: A time-resolved photoelectron imaging and quantum mechanical investigation,"A. B. Stephansen, S. King, Y. Yokoi, Y. Minoshima, W. L. Li, A. Kunin, T. Takayanagi, and D. M. Neumark,'''J. Chem. Phys.''',''143'', 104308 (2015)
+"Quantum chemical study of dissociative electron attachment to D-ribose and D-fructose,"T. Fujita, M. Kondo, T. Takayanagi,'''Comp. Theo. Chem.''', ''1075'', 70-76 (2016).
+"Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces," C. Tokizaki, T. Yoshida, T. Takayanagi, '''Chem. Phys.''', ''469-470'', 97-104 (2016).
+"Effects of temperature and isotopic substitution on electron attachment dynamics of guanine-cytosine base pair: Ring-polymer and classical molecular dynamics simulations," Y. Minoshima, Y. Seki, T. Takayanagi, '''Chem. Phys.''', ''472'', 1-8 (2016).
*学会発表 [#k73e79cf]
-EMN Meeting on Quantum Technology (Beijing, China, 2015/4/14-17).
-- "Extreme quantum isotope effects in muonium/muon chemical reactions",(Saitama Univ.) %%%T. Takayanagi%%%, [invited lecture]
-International workshop on Models and Data for Plasma-Material Interaction in Fusion Devices (Marseille, France, 2015/5/25-27).
-- "Nuclear quantum effects in tritium diffusion in α-iron"
%%%T. Takayanagi%%%, [invited talk]
-31&super{st}; Symposium on Chemical Kinetics and Dynamics (Hokkaido Univ., 2015/06/03-05).
--"Semiclassical dynamics of electron attachment to guanine-cytosine base pair", (&super{1};Saitama University; &super{2};Japan Atomic Energy Agency) %%%MINOSHIMA, Yusuke%%%&super{1};; HONDA, Tomohiro&super{1};; YOKOI, Yuki&super{1};; TAKAYANAGI, Toshiyuki&super{1};; SHIGA, Motoyuki&super{2};, [Oral presentation]
--"Theoretical calculation of transition state spectra for the I + HI reaction", (&super{1};Saitama University) %%%YOSHIDA, Takahiko%%%&super{1};; SATO, Kazuma&super{1};; TAKAYANAGI, Toshiyuki&super{1};, [Poster presentation]
-13th International Workshop on Quantum Reactive Scattering (Salamanca, Spain, 2015/7/6-10).
-- "Transition-state spectra of the X + HX/X + DX reactions and vibrational bonding of XMuX (X = Br, I)"
%%%T. Takayanagi%%%, [invited talk]
-化学反応経路探索のニューフロンティア２０１５(大井町, 2015/09/15).
--"Guanine‐Cytosine(G-C)塩基対のプロトン移動における温度依存性と同位体効果", (埼玉大院・理工&super{1};,埼玉大・理&super{2};) 蓑島裕介&super{1};, %%%関悠佑%%%&super{2};, 高柳敏幸&super{1};, [ポスター発表].
--"糖の低エネルギー電子付着による脱水機構の理論的解明", (埼玉大・理&super{1};,埼玉大院・理工&super{2};) %%%藤田知貴%%%&super{1};, 近藤麻奈美&super{2};, 高柳敏幸&super{2};, [ポスター発表].
-第9回分子科学討論会(東京, 2015/09/16-19).
--"I+HI反応の遷移状態分光スペクトルシミュレーション及びIMuIの振動結合", (埼玉大院・理工) %%%吉田崇彦%%%, 佐藤和宇眞, 高柳敏幸, [口頭発表].
--"シクロオクタテトラエン単分子反応における遷移状態スペクトルの理論解析", (埼玉大院・理工&super{1};,埼玉大・理&super{2};) 吉田崇彦&super{1};, %%%鴇崎千裕%%%&super{2};, 高柳敏幸&super{1};, [ポスター発表].
-Scientific Programme for the 2nd DEA Club meeting (Mumbai, India, 2015/11/18-20).
-- "Quantum Molecular Dynamics Simulations of Excess Electron Attachment to Biomolecules"
%%%T. Takayanagi%%%, [invited talk]
-ICCMSE2016 (Athens, Greece, 2016/3/17-20).
-- "First-principles simulation of transition state spectra of the I + HI reaction and vibrational bonding in IMuI"
%%%T. Yoshida%%%, T. Takayanagi, [Short Oral & Poster]
*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27年度 研究経費 2,200千円）
