活動報告・予告/Annual Reports/高柳研究室2010 の履歴(No.14)

研究室教員†

"Theoretical study on the mechanism of double proton transfer in porphycene by path-integral molecular dynamics simulations," T. Yoshikawa, S. Sugawara, T. Takayanagi, M. Shiga and M. Tachikawa, Chem. Phys. Lett., 496, 14-19 (2010).
"Quantum reactive scattering calculations of H + F2 and Mu + F2 reactions on a new ab initio potential energy surface," T. Tanaka, T. Takayanagi, Chem. Phys. Lett., 496, 248-253 (2010).
"Theoretical Study on the Excess Electron Binding Mechanism in the [CH3NO2･(H2O)n]-(n = 1-6)Anion Clusters," H. Motegi, T. Takayanagi, T. Tsuneda, K. Yagi, R. Nakanishi, T. Nagata, J. Phys. Chem. A, 114, 8939-8947 (2010).
"High-level ab initio electronic structure calculations of RgBe2O2 and RgBe2O2Rg (Rg = He, Ne, Ar, Kr and Xe) complexes," T. Kobayashi, K. Seki, T. Takayanagi, Chem. Phys. Lett., 498, 235-239 (2010).
"Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H2O)4 cluster with path-integral molecular dynamics simulations," S. Sugawara, T. Yoshikawa, T. Takayanagi, M. Tachikawa, Chem. Phys. Lett., 501, 238-244 (2011).
"Electronic structure computational study of H and Mu addition to C=S double bonds," T. Kobayashi, K. Seki, T. Tanaka, T. Takayanagi, Comp. Theo. Chem., 963, 256-262 (2011).

第26回化学反応討論会(広島, 2010/06/02-04).
- "Current status and perspective of chemical reaction dynamics," (埼玉大学) 高柳敏幸 [招待講演].
- "Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H2O)4," (埼玉大学1, JAEA2, 横浜市立大3) 菅原修一1, 吉川武宏1, 高柳敏幸1, 志賀基之2, 立川仁典3
- "Theoretical study of the H + F2 and Mu + F2 reactions," (埼玉大学) 田中友和, 高柳敏幸; [ポスター発表].
- "Path-integral molecular dynamics simulations of porphycene on semiempirical PM6 potential energy surfaces," (埼玉大学1, JAEA2, 横浜市立大3) 吉川武宏1, 菅原修一1, 高柳敏幸1, 志賀基之2, 立川仁典3