活動報告・予告/Annual Reports/高柳研究室2018 の履歴(No.5)
研究室教員†
発表論文†
- "Automated reaction path searches for spin-forbidden reactions" T. Takayanagi, T. Nakatomi, J. Comput. Chem., 39, 1319-1326 (2018)
- "On the ion-pair dissociation mechanisms in the small NaCl-(H2O)6 cluster: a perspective from reaction path search calculations" T. Takayanagi, T. Nakatomi, Y. Yonetani J. Comput. Chem., in press.
- "Reduction of OH vibrational frequencies in amino acids by positron attachment" Y.Sugiura, K.Suzuki, T.Takayanagi, Y.Kita, M.Tachikawa J. Comput. Chem., in press.
- "Quantum simulation verifies the stability of an 18 coordinated actinium-helium complex" E.Ozama, S.Adachi, T.Takayanagi, M.Shiga Chem. Eur. J, in press
- " Theoretical calculations of photoelectron spectrum of (Au-CO2)-
anion" Y.Watabe, T.Miyazaki, E.Ozama, T.Takayanagi,Y.Suzuki Comp. Theo. Chem., in press
学会発表†
- 34rd Symposium on Chemical Kinetics and Dynamics (Kyoto, Japan, 2018/06/06-08).
- "Quantum structure study of Ac3+-doped helium clusters using Path Integral Molecular Dynamics method", (1Saitama University, 2JAEA) OZAMA, Eiki1; TAKAYANAGI, Toshiyuki1; SHIGA, Motoyuki2, [Poster presentation]
- "Reactiom path search for spin-forbidden processes",(1Saitama University) NAKATAMI, Taiki1; TAKAYANAGI, Toshiyuki1, [Poster presentation]
- "Does positron attachment affect to the structures of amino acids?", (1Saitama University, 2Yokohama City University) SUGIURA, Yutaro1; SUZUKI, Kento1 TAKAYANAGI, Toshiyuki1; KITA, Yukiumi2; TACHIKAWA, Masanori2, [Poster presentation]
科学研究費補助金†
