活動報告・予告 / Annual Reports/高柳研究室2015

研究室教員

発表論文

  1. "Direct dynamics study of the N(4S) + CH3(2A2") reaction," S.Chiba, T.Honda, M.Kondo, T.Takayanagi, Comp.Theo.Chem., 1061, 46-51 (2015).
  2. "From photoelectron detachment spectra of BrHBr-, BrDBr- and IHI-, IDI- to vibrational bonding of BrMuBr and IMuI," J. Manz, K. Sato, T. Takayanagi T. Yoshida, J. Chem. Phys., 142, 164308 (2015).
  3. "First-Principles Simulations of Transition State Spectra of the I + HI and I + DI Reactions and Vibrational Bonding in IMuI," T. Yoshida, K. Sato, T. Takayanagi, Chem. Phys., 457, 51-56 (2015).
  4. "Theoretical analysis of the transition-state spectrum of the cyclooctatetraene unimolecular reaction: Three degree-of-freedom model calculations," T. Yoshida, C. Tokizaki, T. Takayanagi, Chem. Phys. Lett., 634, 134-139 (2015).
  5. "Electron accommodation dynamics in the DNA base thymine," S. B. King, A. B. Stephansen, Y. Yokoi, M. A. Yandell, A. Kunin, T. Takayanagi, D. M. Neumark, J. Chem. Phys., 143, 024312 (2015).
  6. "Dynamics of dipole- and valence bound anions in iodide-adenine binary complexes: A time-resolved photoelectron imaging and quantum mechanical investigation,"A. B. Stephansen, S. King, Y. Yokoi, Y. Minoshima, W. L. Li, A. Kunin, T. Takayanagi, and D. M. Neumark,J. Chem. Phys.,143, 104308 (2015)
  7. "Quantum chemical study of dissociative electron attachment to D-ribose and D-fructose,"T. Fujita, M. Kondo, T. Takayanagi,Comp. Theo. Chem., 1075, 70-76 (2016).
  8. "Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces," C. Tokizaki, T. Yoshida, T. Takayanagi, Chem. Phys., 469-470, 97-104 (2016).
  9. "Effects of temperature and isotopic substitution on electron attachment dynamics of guanine-cytosine base pair: Ring-polymer and classical molecular dynamics simulations," Y. Minoshima, Y. Seki, T. Takayanagi, Chem. Phys., 472, 1-8 (2016).

学会発表

科学研究費補助金

  1. 平成27-29年度 「全原子を量子論で取り扱う凝縮系化学反応動力学理論の開発」
     研究代表 高柳敏幸
    (平成27年度 研究経費 2,200千円)