活動報告・予告/Annual Reports/高柳研究室2017 の履歴(No.12)

研究室教員†

"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).
"Nonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances" T. Takayanagi, Phys. Chem. Chem. Phys., in press.

第11回分子科学討論会(仙台, 2017/09/15-18).
- "シクロオクタテトラエン単分子反応における周波数および時間依存領域の遷移状態分光", (埼玉大院・理工) 鴇崎千裕, 吉田崇彦, 高柳敏幸 [口頭発表].
- "量子ヘリウムクラスターにおける光誘起原子脱離ダイナミクス", (埼玉大院・理工1, 日本原子力研究開発機構2) 関悠佑1, 高柳敏幸1, 志賀基之2 [口頭発表].
- "脱プロトン化水クラスターH3O2-のMu置換による構造変化", (埼玉大・理1, 埼玉大院・理工2, 日本原子力研究開発機構3) 小座間瑛記1, 関悠佑2, 高柳敏幸2, 志賀基之3 [ポスター発表].
化学反応経路探索のニューフロンティア2017(仙台, 2017/09/14).
- "ピラジンへのH /Mu原子付加についての理論研究", (埼玉大・理) 小井土勝一, 高柳敏幸 [ポスター発表].
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", (1Saitama University, 2JAEA) SEKI, Yusuke1; TAKAYANAGI, Toshiyuki1; SHIGA, Motoyuki1, [Poster presentation]
- "Theoretical analyses of the time-resolved nuclear dynamics of the transition state for the cyclooctatetraene unimolecular reaction", (1Saitama University) TOKIZAKI, Chihiro1; YOSHIDA, Takahiko1; TAKAYANAGI, Toshiyuki1, [Poster presentation]

33rd 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", (1Saitama University, 2JAEA) SEKI, Yusuke1; TAKAYANAGI, Toshiyuki1; SHIGA, Motoyuki1, [Poster presentation]
- "Theoretical analyses of the time-resolved transition state dynamics for cyclooctatetraene", (1Saitama University) TOKIZAKI, Chihiro1; YOSHIDA, Takahiko1; TAKAYANAGI, Toshiyuki1, [Poster presentation]
- "Theoretical study of dissociation reaction dynamics induced by positron attachment", (1Saitama University, 2Yokohama City University) SUZUKI, Kento1; TAKAYANAGI, Toshiyuki1; TACHIKAWA, Masanori2; KITA, Yukiumi2, [Poster presentation]