活動報告・予告/Annual Reports/高柳研究室2013 のバックアップの現在との差分(No.18)


#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]
+"Preference Behavior on Donating Atoms of an Ambidentate Ligand 2-Methylisothiazol-3(2'''H''')-one in its Metal Complexes," M. Kato, K. Unoura, T. Takayanagi, Y. Ikeda, T. Fujihara, and A. Nagasawa, '''Inorg. Chem.''',  ''52'', 13375–13383 (2013).
+"Theoretical Study of Excess Electron Attachment Dynamics to the Guanine-Cytosine Base Pair: Electronic Structure Calculations and Ring-Polymer Molecular Dynamics Simulations," Y. Sugioka, T. Yoshikawa, and T. Takayanagi, '''J. Phys. Chem. A''',  ''117'', 11403–11410 (2013).
+"Theoretical study of N(&super{4};S, &super{2};D) + CH&subsc{3};(&super{2};A&subsc{2};") reaction mechanisms revisited: the importance of spin-forbidden and roaming dynamics processes," S.Chiba, F.Yoshida, and T.Takayanagi, '''Chem. Phys. Lett.''', ''595-596'', 103-108 (2014).
+"Non-adiabatic relaxation dynamics of water anion cluster and its isotope effects by ring-polymer molecular dynamics simulation," T. Yoshikawa, T. Takayanagi, '''Int. J. Quantum Chem.''', (just accepted)
+"Non-adiabatic relaxation dynamics of water anion cluster and its isotope effects by ring-polymer molecular dynamics simulation," T. Yoshikawa, T. Takayanagi, '''Int. J. Quantum Chem.''', ''114'', 636-641 (2014).

*学会発表 [#k73e79cf]
-第29回化学反応討論会(仙台, 2013/06/05-07).
--"Quantum dynamics simulation for non-adiabatic relaxation of hydrated 
electron.", (埼玉大院理工) 吉川武宏, [口頭発表]
electron.", (埼玉大院理工) %%%吉川武宏%%%, [口頭発表]
-The 12th International Workshop on Quantum Reactive Scattering(QRS12, Bordeaux,France, 2013/6/10-14).
--"Nuclear quantum effects in chemical reactions: from simple three-atom systems to complex systems",(Saitama Univ.) T. Takayanagi, [invited lecture]
--"Nuclear quantum effects in chemical reactions: from simple three-atom systems to complex systems",(Saitama Univ.) %%%T. Takayanagi%%%, [invited lecture]
-The 6th Asia-Pacific Conference of Theoretical and Computational Chemistry(APCTCC, Gyeongju, Korea, 2013/7/10-13).
--"Quantum dynamics simulation for non-adiabatic relaxation of hydrated 
electron.",(Saitama Univ.) T. Yoshikawa, [poster presentation]
electron.",(Saitama Univ.) %%%T. Yoshikawa%%%, [poster presentation]
''Selected as Best Poster Award''
-The XVII International Workshop on Low-Energy Positron and Positronium Physics(POSMOL 2013, Kanazawa,Ishikawa,Japan, 2013/7/19-22).
--"Theoretical study of electron attachment dynamics to DNA and its related molecules: importance of nuclear quantum effects.",(Saitama Univ.) T. Takayanagi, [invited talk]
--"Theoretical study of electron attachment dynamics to DNA and its related molecules: importance of nuclear quantum effects.",(Saitama Univ.) %%%T. Takayanagi%%%, [invited talk]
-第7回分子科学討論会(京都, 2013/09/24-27).
--"グアニン―シトシン塩基対アニオンにおけるプロトン移動ダイナミクスの理論的研究", (埼玉大院・理工) 杉岡雄仁, 高柳敏幸, [口頭発表].
--"リングポリマー分子動力学シミュレーションによる水和電子クラスターの非断熱励起緩和過程", (埼玉大院・理工) 吉川武宏,高柳敏幸, [ポスター発表].
--"CN+CH2O反応の反応選択性についての動力学研究", (埼玉大院・理工) 千葉幸枝, 本田知大, 高柳敏幸, [ポスター発表].
--"星間空間におけるNS分子生成機構の理論研究", (埼玉大院・理工) 佐藤和宇眞, 吉川武宏, 高柳敏幸, [ポスター発表].
--"量子的振動結合についての理論研究", (埼玉大院・理工) 本田知大, 吉川武宏, 高柳敏幸, [ポスター発表].
--"グアニン―シトシン塩基対アニオンにおけるプロトン移動ダイナミクスの理論的研究", (埼玉大院・理工) %%%杉岡雄仁%%%, 高柳敏幸, [口頭発表].
--"リングポリマー分子動力学シミュレーションによる水和電子クラスターの非断熱励起緩和過程", (埼玉大院・理工) %%%吉川武宏%%%,高柳敏幸, [ポスター発表].
--"CN+CH2O反応の反応選択性についての動力学研究", (埼玉大院・理工) %%%千葉幸枝%%%, 本田知大, 高柳敏幸, [ポスター発表].
--"星間空間におけるNS分子生成機構の理論研究", (埼玉大院・理工) %%%佐藤和宇眞%%%, 吉川武宏, 高柳敏幸, [ポスター発表].
--"量子的振動結合についての理論研究", (埼玉大院・理工) %%%本田知大%%%, 吉川武宏, 高柳敏幸, [ポスター発表].
-Telluride Winter Workshop on New Challenges for Theory in Chemical Dynamics (Telluride, Colorado, 2014/1/12-17).
-- "Dynamics study of excess electron attachment to molecules and clusters",(Saitama Univ.) T. Takayanagi, [invited lecture]
-- "Dynamics study of excess electron attachment to molecules and clusters",(Saitama Univ.) %%%T. Takayanagi%%%, [invited lecture]


*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 1,200千円 (2013年度)