活動報告・予告/Annual Reports/高柳研究室2011 の履歴(No.14)


発表論文

  1. "Real Wave Packet and Flux Analysis Studies of the H + F2 -> HF + F Reaction," F. Gogtas, E. Karabulut, T. Tanaka, T. Takayanagi and R. Tutuk, Int. J. Quantum. Chem., in press.
  2. "Quantum proton transfer in hydrated sulfuric acid clusters: A perspective from semiempirical path integral simulations," S.Sugawara, T.Yoshikawa, T. Takayanagi, M.Shiga, M.Tachikawa, J.Phys.Chem.A, 115,11486-11494(2011).
  3. "Quantum dynamics study of the X + F2 and F +XF (X = Mu, H, and D) reactions," T.Tanaka, T. Takayanagi, Chem.Phys., 390,60-67(2011).
  4. "Quantum tautomerization in porphycene and its isotopomers: Path integral molecular dynamics simulations," T. Yoshikawa, S.Sugawara, T. Takayanagi, M. Shiga, M. Tachikawa, Chem. Phys., 394,46-51(2012).
  5. "Rare gas bond property of Rg-Be2O2 and Rg-Be2O2-Rg (Rg = He, Ne, Ar, Kr and Xe) as a comparison with Rg-BeO," T. Kobayashi, Y. Kohno, T. Takayanagi, K. Seki, K. Ueda, Comp. Theo. Chem., in press.

学会発表

外部資金獲得状況

  1. 2009~11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分子損傷の第一原理シミュレーション法の開発 3,800千円
  2. 2010~11年度 特定領域研究 研究代表者:高柳敏幸 核の量子性を考慮したトリチウム化学反応過程の理論的研究 2,600千円