活動報告・予告/Annual Reports/高柳研究室2018 の履歴(No.7)

研究室教員†

"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., 1140 , 56 - 62 (2018).

34th 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]