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Takayanagi Lab.

Publications

2005-2007

[97] "Quantum-classical wave packet calculations for the O(1D) + N2O NO + NO/N2 + O2 reaction," T. Takayanagi, Chem. Phys., 308, 211-216 (2005).

[98] "H6+ in irradiated solid parahydrogen and its decay dynamics: Reinvestigation of quartet electron spin resonance lines assigned to H2-," T. Kumada, H. Tachikawa, and T. Takayanagi, Phys. Chem. Chem. Phys., 7, 776-784 (2005).

[99] "Development of a three-dimensional ab initio potential energy surface for the He-Cl2(X) system and its application to solvation structures in the HenCl2 clusters," T. Takayanagi, M. Shiga, and T. Taketsugu,  J. Theo. Comp. Chem. 4, 197-207 (2005).

[100] "Reduced-dimensionality quantum reactive scattering calculations of the C(3P)+ C2H2 reaction on a new potential energy surface," T. Takayanagi, Chem. Phys., 312, 61-67 (2005).

[101] "A modified version of the analytical potential function for the global ab initio ground-state potential energy surface of the BrH2 system," Y. Kurosaki and T. Takayanagi, Chem. Phys. Lett., 406, 121-125 (2005).

[102] "Syn-p-face and endo-selective, inverseelectron-demand Diels-Alder reactions of 3,4-di-tert-butylthiophene 1-oxidewith electron-rich dienophiles," J. Takayama, Y. Sugihara, T. Takayanagi, and J. Nakayama, Tetrahedron Lett., 46, 4165-4169(2005).

[103] "Ab initio study of small acetonitrile cluster anions," T. Takayanagi, J. Chem. Phys., 122, 244307 (2005).

[104] "Reduced-dimensionality and direct trajectory calculations for the C(3PJ)+ NH2(2B1) reaction," T. Takayanagi and T. Taketsugu, Chem. Phys. Lett., 417, 143-148(2006).

[105] "Quantum dynamics study on the product branching for the C(3P)+ C2H2 reaction: cyclic-C3H versus linear-C3H,"T. Takayanagi, J. Phys. Chem. A, 110, 361-366 (2006).

[106] "Synthesis and Properties of a Dithiirane trans-1,2-Dioxide, a Three-Membered vic-Disulfoxide,", A. Ishii, M. Ohishi, K. Matsumoto, and T. Takayanagi, Org. Lett., 8, 91-94 (2006).

[107] "ESR study of H6+ and H4D2+ produced in irradiated solid hydrogens," T. Kumada, T. Takayanagi, and J. Kumagai, J. Mol. Struct., 786, 130-133 (2006).

[108] "Electronic structure calculations of acetonitrile cluster anions:Stabilization of molecular anions by solvation," T. Takayanagi , T. Hoshino, and K. Takahashi, Chem. Phys., 324, 679-688 (2006).

[109] "Dynamical calculations of charge-transfer-to-solvent excited states ofsmall I-(CH3CN)n clusters," T. Takayanagi, J. Phys. Chem. A, 110, 7011-7018 (2006).

[110] "Theoretical study on HNC(1S) production from the C2(X1 Sg+) + NH(X3 S-)reaction," K. Takahashi and T. Takayanagi, Chem. Phys. Lett., 429, 399-404 (2006).

[111]  "Direct dynamics simulations of photoexcited charge-transfer-to-solvent states of the I-(H2O)6 cluster," T. Takayanagi and K. Takahashi, Chem. Phys. Lett., 431, 28-33(2006).

[112] "Synthesis and some properties of bis(ruthenocenyl)thiophene derivatives. Possible spin-coupling in the two-electron oxidized species of dinuclear ruthenocenes bridged by thiophene derivatives," M. Sato, Y. Kubota, A. Tanemura, G. Maruyama, T. Fujihara, J. Nakayama, T. Takayanagi, K. Takahashi, K. Unoura, Eur. J. Inorg. Chem., 2006, 4577-4588(2006).

[113] "The effect of van der Waals resonances on reactive cross sections for the F + HD reaction," T. Takayanagi, Chem. Phys. Lett., 433, 15-18 (2006).

[114] "On the accuracy of density-functional methods for determining structures of dicationic binuclear ruthenocene derivatives bridged by an unsaturated molecule," T. Takayanagi, K. Takahashi, T. Fujihara, and M. Sato, J. Molec. Struct.(THEOCHEM), 806, 85-92 (2007).

[115] "Theoreticalstudy of the H + Br2 and Mu + Br2 reactions: A new abinitio potential energy surface and quantum dynamics calculations," T. Takayanagi, Chem. Phys. 334, 109-116 (2007).

[116] "Re-examinationof the photochemical reaction of octaisopropylcyclogermane," M. Wakasa, Y. Takamori, T. Takayanagi, M. Orihara, and T. Kugita, J. Organometallic Chem., 692, 2855-2860 (2007).

[117] "Production of HNC from the CH(X2 P) + NH(X3 S-) reaction: Direct dynamics study," K. Takahashi and T. Takayanagi, J. Mol. Struct. (THEOCHEM), 817, 153-160 (2007).

[118] "Theoretical study of the simplest Xe-containing molecule: HXeH, " T. Takayanagi, T. Asakura, K. Takahashi, Y. Taketsugu, and T. Noro, Chem. Phys. Lett., 446, 14-19 (2007).

[119] "Direct dynamics simulations of photoexcited charge-transfer-to-solvent states of the I-(H2O)n ( n = 4, 5, and 6) clusters, " K. Takahashi and T. Takayanagi, Chem. Phys. 342, 95-106 (2007).

[120] "Path integral molecular dynamics calculations of the H6+ and D6+ clusters on an ab initio potential energy surface,"A. Kakizaki, T. Takayanagi, and M. Shiga, Chem. Phys. Lett. 449, 28-32 (2007).