活動報告・予告 / Annual Reports/高柳研究室2018

研究室教員

発表論文

  1. "Automated reaction path searches for spin-forbidden reactions" T. Takayanagi, T. Nakatomi, J. Comput. Chem., 39, 1319-1326 (2018)
  2. "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.
  3. "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.
  4. "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

学会発表

科学研究費補助金