Takayanagi Lab.

[30] "Quantum reactive scattering calculations of the CN + H₂ → HCN + H reaction: the role of the nonreactive CN bond," T. Takayanagi and G. C. Schatz, Chem. Phys. Lett., 265, 410-417 (1997).

[31] "Reaction dynamics calculations for the CN + H₂ →HCN + H reaction: application of rotating-bond-approximation," T. Takayanagi and G. C. Schatz, J. Chem. Phys., 106, 3227-3236 (1997).

[32] "Translational energy distributions of the products of the 193 and 157 nm photodissociation of chloroethylenes," K. Sato, S. Tsunashima, T. Takayanagi, G. Fujisawa, and A. Yokoyama, J. Chem. Phys., 106, 10123-10133 (1997).

[33] "Photodissociatioin dynamics of 1-bromo-1-chloro-2,2,2-trufluoethane at 157 nm," A. Yokoyama, K. Yokoyama, and T. Takayanagi, J. Phys. Chem. A, 101, 6647-6652, (1997).

[34] "Theoretical calculations of potential energy surface and thermal rate constants for the H(Mu) + F₂ reaction," T. Takayanagi and Y. Kurosaki, J. Phys. Chem. A, 101, 7098-7104 (1997).

[35] "Ab initio molecular orbital study on the H₂ loss reaction from ethane cation, C₂H₆⁺," Y. Kurosaki and T. Takayanagi, Chem. Phys. Lett., 277, 291-298 (1997).

[36] "Studies of N(²D) + H₂ reaction on revised potential energy surfaces," H. Kobayashi, T. Takayanagi, and S. Tsunashima, Chem. Phys. Lett., 277, 20-26 (1997).

[37] "Ab initio molecular orbital calculations of the potential energy surface for the N(²D) + CH₄ reaction," Y. Kurosaki, T. Takayanagi, K. Sato, and S. Tsunashima, J. Phys. Chem. A, 102, 254-259 (1998).

[38] "Tunneling in the F + H₂ reaction and its isotopic variants: effect of van der Waals potential," T. Takayanagi and Y. Kurosaki, Chem. Phys. Lett., 286, 35-39 (1998).

[39] "Tunneling abstraction reactions of tritium atoms with HD and mixtures ofH₂ and D₂ in super- and normalfluid ³He-⁴He media at 1.3 K,"  Y. Aratono, T. Matsumoto, T. Takayanagi, T. Kumada, K. Komaguchi, and T. Miyazaki, J. Phys. Chem. A, 102, 1501-1506 (1998).

[40] "Quantum-mechanical tunneling in the H₂ elimination from 2,3-dimethylbutane cation: (CH₃)₂CHCH(CH₃)₂⁺ → (CH₃)₂C=C(CH₃)₂⁺ + H₂. An ab initio molecular orbital study," Y. Kurosaki, T. Takayanagi, and T. Miyazaki, J. Mol. Struct. (THEOCHEM), 452, 209-218 (1998).

[41] "A direct isomerization path for the H₆⁺ cluster. An ab initio molecular orbital study," Y. Kurosaki and T. Takayanagi, Chem. Phys. Lett., 293, 59-64 (1998).

[42] "Measurements of thermal rate constants and theoretical calculations forthe N(²D, ²P) + C₂H₂ andC₂D₂ reactions," T. Takayanagi, Y. Kurosaki, M. Sugiyama, K. Misawa, K. Sato, and S. Tsunashima, J. Phys. Chem. A, 102, 6251-6258 (1998).

[43] "Application of ab initio direct dynamics calculations on the ionization and electron attachment processes for the CCl₃F molecule," T. Takayanagi, Y. Kurosaki, and H. Tachikawa, Int. J. Mass. Spectrom. Ion Processes, 176, 227-235 (1998).

[44] "An ab initio molecular orbital study of even-membered hydrogen cluster cations: H₆⁺, H₈⁺, H₁₀⁺, H₁₂⁺, and H₁₄⁺," Y. Kurosakiand T. Takayanagi, J. Chem. Phys., 109, 4327-4334 (1998).

[45] "Van der Waals resonances in cumulative reaction probabilities for the F + H₂, D₂, and HD reactions," T. Takayanagi andY. Kurosaki, J. Chem. Phys., 109, 8929-8934 (1998).

[46] "Ab initio molecular orbital calculations for the N(²D) + ethylene reaction," T. Takayanagi, Y. Kurosaki, K. Sato, and S. Tsunashima, J. Phys. Chem. A, 102, 10391-10398 (1998).

[47] "A theoretical study on an isotope effect in the CH₃ + H₂ → CH₄ + H reaction ," Y. Kurosaki and T. Takayanagi, Chem. Phys. Lett., 299, 57-63 (1999).

[48] "Kinetic studies on the N(²D, ²P) + CH₄ and CD₄ reactions: the role of nonadiabatic transitions on thermal rate constants," T. Takayanagi, Y. Kurosaki, K. Sato, K. Misawa, M. Sugiura, Y. Kobayashi, and S. Tsunashima, J. Phys. Chem. A, 103, 250-255 (1999).

[49] "Ab initio molecular orbital study of the N(²D) + H₂O reaction," Y. Kurosaki and T. Takayanagi, J. Phys. Chem. A, 103, 436-442 (1999).

[50] "H atom -H₂ molecule van der Waals complexes in solid argon matrix by high resolution ESR spectroscopy," K. Komaguchi, T. Kumada, T. Takayanagi, Y. Aratono, M. Shiotani, and T. Miyazaki, Chem. Phys. Lett., 300, 257-261 (1999).

[51] "A theoretical study of the prereaction process of the H…HF van der Waals molecule," T. Takayanagi and Y. Kurosaki, Phys. Chem. Chem. Phys., 1, 1099-1104 (1999). (16)

[52] "Kinetics and mechanisms of the reactions of CH and CD with H₂S and D₂S," K. Sato, S. Wakabayashi, T. Matsubara, M. Sugiura, S. Tsunashima, Y. Kurosaki, and T. Takayanagi, Chem. Phys., 242, 1-10 (1999).

[53] "Ab initio MO calculations on potential energy surfaces of CCl₄; Is a C_2v contact ion pair an isomer of T_d-CCl₄ ?," T. Takayanagi, Y. Kurosaki, and H. Tachikawa, Rad. Phys. Chem., 55, 367-371 (1999).

[54] "Theoretical study of an isotope effect on rate constants for the CH₃ + H₂ → CH₄ + H and CD₃ + H₂ → CD₃H + H reactions using variational transition state theory and the multidimensional semiclassical tunneling method," Y. Kurosaki and T. Takayanagi, J. Chem. Phys., 110, 10830-10842 (1999). (17)

[55] "Rotational and vibrational energy distributions of HCl produced by three-and four-center elimination of HCl from halogenated ethanes," A. Yokoyama and T. Takayanagi, Chem. Phys. Lett., 307, 48-54 (1999).

[56] "Reactions of N(2²D) with CH₃OH and its isotopomers," H. Umemoto, K. Kongo, S. Inaba, Y. Sonoda, T. Takayanagi and Y. Kurosaki, J. Phys. Chem. A, 103, 7026-7031 (1999).

[57] "Direct ab initio trajectory calculations for the N(²D)+ CH₄ insertion reaction," T. Takayanagi and Y. Kurosaki, J. Mol. Struct. (THEOCHEM), 492, 151-158 (1999).

[58] "Measurements of thermal rate constants for the reactions of N(²D, ²P) with C₂H₄ and C₂D₄ between 225 and 292 K," K. Sato, K. Misawa, Y. Kobayashi, M. Matsui, S. Tsunashima, Y. Kurosaki, and T. Takayanagi, J. Phys. Chem. A., 103, 8650-8656 (1999).

[59] "Theoretical calculations of thermal rate constants for the N(²D)+ acetylene reaction," T. Takayanagi, Y. Kurosaki, K. Yokoyama, K. Sato, and S. Tsunashima, Chem. Phys. Lett., 312, 503-510 (1999).

[60] "Theoretical study of the non-Arrhenius temperature dependence of thermal rate constants for the H + H₂S → H₂ + SH reaction," Y. Kurosaki and T. Takayanagi, J. Chem. Phys., 111, 10529-10536 (1999).

[61] "Ab initio molecular orbital study of the N(²D) +HCN(¹) reaction," Y. Kurosaki and T. Takayanagi, J. Phys. Chem. A, 103, 9323-9329 (1999).

[62] "Three-dimensional quantum reactive scattering calculations for the nonadiabatic (D + H₂)⁺ reaction system," T. Takayanagi, Y. Kurosaki, and A. Ichihara, J. Chem. Phys., 112, 2615-2622 (2000).

[63] "Theoretical calculations of the prereaction process of the H^-…HD van der Waals molecule," T. Takayanagi and Y. Kurosaki, Phys. Chem. Chem. Phys., 2, 665-670 (2000).

[64] "Ab initio molecular orbital calculations of potential energy surfaces for the N(⁴S, ²D, ²P)+ H₂ reactions," T. Takayanagi, Y. Kurosaki, and K. Yokoyama, Chem. Phys. Lett., 321, 106-112 (2000).

[65] "Ab initio molecular orbital study of potential energy surface for H₂NO(²B₁) → NO(²P) + H₂ reaction," Y. Kurosaki and T. Takayanagi, J. Mol. Struct. (THEOCHEM), 507, 119-126 (2000).

[66] "Cyanomethylene formation from the reaction of excited nitrogen atoms wit hacetylene: a crossed beam and ab initio study," N. Balucani, M. Alagia, L. Cartechini, P. Casavecchia, G. G. Volpi, K. Sato, T. Takayanagi, and Y. Kurosaki, J. Am. Chem. Soc., 122, 4443-4450 (2000).

[67] "Ab initio calculations for the N(²D) + CH₄reaction; does the N(²D) atom really insert into CH bonds ofalkane molecule ?," T. Takayanagi, Y. Kurosaki, and K. Yokoyama, Int. J. Quantum Chem., 79, 190-197 (2000).

[68] "Theoretical investigation of the potential energy surfaces for the O(¹D) + N₂O reaction," H. Akagi, A. Yokoyama, Y. Fujimura, and T. Takayanagi, Chem. Phys. Lett., 324, 423-429 (2000).

[69] "Theoretical study of kinetic isotope effects on rate constants for the H₂+ C₂H → H + C₂H₂ reaction and its isotopicvariants," Y. Kurosaki and T. Takayanagi, J. Chem. Phys., 113, 4060-4072 (2000).

[70] "Production processes of H (D) atoms in the reactions of NO(A²S⁺) with C₂H₂, C₂H₄, and H₂O, and their isotopic variants," H. Umemoto, N. Terada, K. Tanaka, T. Takayanagi, Y. Kurosaki, and K. Yokoyama, Chem. Phys., 259, 39-47 (2000).

[71] "Quantum scattering calculations for the electronically nonadiabatic Br*(²P_1/2) + H₂ → HBr + H reaction," T. Takayanagi and Y. Kurosaki, J. Chem. Phys., 113, 7158-7164 (2000).