Takayanagi Lab.

[121] "Accurate ab initio electronic structure calculations of the stable helium complex: HeBeO," T. Takayanagi, H. Motegi, Y. Taketsugu, and T. Taketsugu, Chem. Phys. Lett. 454, 1-6 (2008).

[122] "Molecular dynamics simulations of small glycine-(H₂O)_n (n = 2-7) clusters on semiempirical PM6 potential energy surfaces," T. Takayanagi, T. Yoshikawa, A. Kakizaki, M. Shiga, and M. Tachikawa, J. Mol. Struct. (THEOCHEM), 869, 29-36 (2008).

[123] "Path-integral molecular dynamics simulations of BeO embedded in helium clusters: Formation of the stable HeBeO complex," H. Motegi, A. Kakizaki, T. Takayanagi, Y. Taketsugu, T. Taketsugu, and M. Shiga, Chem. Phys. 354, 38-43 (2008).

[124] "Linkage isomerism of pentaammine(dimethylsulfoxide)ruthenium(II/III) complexes: a thoretical study," M. Kato, T. Takayanagi, T. Fujihara, and A. Nagasawa, Inorg. Chimi. Acta, 362, 1199-1203 (2009).

[125] "Theoretical study on the mechanism of low-energy dissociative electron attachment for uracil," T. Takayanagi, T. Asakura, H. Motegi, J. Phys. Chem. A 113, 4795-4801 (2009).

[126] "Path-integral molecular dynamics simulations of small hydrated sulfuric acid clusters H₂SO₄*(H₂O)_n (n = 1-6) on semiempirical PM6 potential surfaces," A. Kakizaki, H.Motegi, T. Yoshikawa, T. Takayanagi, M. Shiga, and M. Tachikawa, J. Mol. Struct. (THEOCHEM), 901, 1-8 (2009).

[127] "Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H₂O)₄ on a semiempirical potential energy surface," T. Takayanagi, K. Takahashi, A. Kakizaki, M. Shiga, and M. Tachikawa, Chem. Phys., 358, 196-202 (2009).

[128] "Theoretical study on the transformation mechanism between dipole-bound and valence-bound anion states of small uracil-water clusters and their photoelectron spectra," H. Motegi, T. Takayanagi, J. Mol. Struct. (THEOCHEM), 907, 85-92 (2009).

[129] "Path-integral molecular dynamics simulations of glycine-(H₂O)_n (n = 1-7) clusters on semiempirical PM6 potential energy surfaces," T. Yoshikawa, H. Motegi, A. Kakizaki, T. Takayanagi, M. Shiga, and M. Tachikawa, Chem. Phys., 365, 60-68 (2009).

[130] "Path-integral molecular dynamics simulations for water anion clusters (H₂O)₅^- and (D₂O)₅^-," T. Takayanagi, T. Yoshikawa, H. Motegi, and M. Shiga, Chem. Phys. Lett., 482, 195-200 (2009).

[131] "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).

[132] "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).

[133] "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).

[134] "High-level ab initio electronic structure calculations of R_gBe₂O₂ and R_gBe₂O₂R_g (R_g = He, Ne, Ar, Kr and Xe) complexes," T. Kobayashi, K. Seki, T. Takayanagi, Chem. Phys. Lett., 498, 235-239 (2010).

[135] "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).

[136] "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).

[137] "Electronic structure calculation study of metal complexes with a phytosiderophore mugineic acid," M. Kato, S. Izuka, T. Fujihara, A. Nagasawa, S. Kawai, T. Tanaka, T. Takayanagi, Inorg. Chim. Acta, 370, 304-310 (2011).

[138] "Roaming dynamics in the MgH + H -> Mg + H₂ reaction: Quantum dynamics calculations," T. Takayanagi, T. Tanaka, Chem. Phys. Lett., 504, 130-135 (2011).

[139] "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).

[140] "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).