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Takayanagi Lab.

Publications

2001-2004

[72] "Photodissociation dynamics of CBrClF2 at 157.6 nm I.  Experimental study using a photofragment translational spectroscopy ," A. Yokoyama, K. Yokoyama, and T. Takayanagi, J. Chem. Phys., 114, 1617-1623 (2001).

[73] "Photodissociation dynamics of CBrClF2 at 157.6 nm II.  Atheoretical study using wavepacket propagation," K. Yokoyama, A. Yokoyama, and T. Takayanagi, J. Chem. Phys., 114, 1624-1630 (2001).

[74] "Theoretical calculations for the prereaction processes of the DcHF and HcDF van der Waals molecules," T. Takayanagi and A. Wada, Chem. Phys. Lett., 338, 195-200 (2001).

[75] "Reduced dimensionality quantum reactive scattering calculations on the abinitio potential energy surface for the O(1D) + N2O ¨ NO + NO reaction," T. Takayanagi and A. Wada, Chem. Phys., 269, 37-47 (2001).

[76] "Spin-orbit branching in the collision-induced dissociation reaction of He(1S0) + HF(X1S0+) ¨ He(1S0) + H(2S1/2) + F(2P3/2,1/2)," T. Takayanagi and A. Wada, J. Chem. Phys., 115, 6385-6393 (2001).

[77] "Quantum reactive scattering calculations of photodetachment spectra of the FHD- anion," T. Takayanagi and A. Wada, Chem. Phys. Lett., 348, 514-520 (2001).

[78] "Theoretical prediction of the lifetime of the metastable helium compound: HHeF," T. Takayanagi and A. Wada, Chem. Phys. Lett., 352, 91-98 (2002).

[79] "Nonadiabatic quantum reactive scattering calculations for the O(1D)+ H2, D2, and HD reactions on the lowest three potentialenergy surfaces," T. Takayanagi, J. Chem. Phys., 116, 2439-2446 (2002).

[80] "A quantum reactive scattering study of the spin-forbidden CH(X2P)+ N2(X1Sg+) ¨ HCN(X1S) + N(4S) reaction," A. Wada and T. Takayanagi, J. Chem. Phys., 116, 7065-7072 (2002).

[81] "A close-coupling study of collision-induced dissociation: three-dimensional calculations for the He + H2 ¨ He + H + H reaction," T. Takayanagi and A. Wada, Chem. Phys., 277, 313-323 (2002).

[82] "Ab initio molecular orbital study of O(1D) insertion into C-C bond in cyclopropane and ethane," Y. Kurosaki and T. Takayanagi, Chem. Phys. Lett., 355, 424-430 (2002).

[83] "Quantum scattering calculations of the O(1D) + N2(X1Sg+) ¨ O(3P) + N2(X1Sg+) spin-forbidden electronic quenching collision," T. Takayanagi, J. Phys. Chem. A, 106, 4914-4921 (2002).

[84] "Path integral molecular dynamics combined with discrete-variable-representation approach: the effect of solvation structures on vibrational spectra of Cl2  in helium clusters," T. Takayanagi and M. Shiga, Chem. Phys. Lett., 362, 504-510 (2002).

[85] "Translational energy dependence of NO + NO / N2 + O2 product branching in the O(1D) + N2O reaction: a classical trajectory study on a new global potential energy surface for the lowest 1A' state," T. Takayanagi and H. Akagi, Chem. Phys. Lett., 363, 298-306 (2002).

[86] "A CASPT2 study of the doublet potential energy surface for the CH(X2P) + N2(X1Sg+) reaction," T. Takayanagi, Chem. Phys. Lett., 368, 393-398 (2003). 

[87] "Ab initio calculations of low-lying potential energy surfaces ofthe HHeF system," T. Takayanagi, Chem. Phys. Lett., 371, 675-680 (2003).

[88] "Photodissociation of Cl2 in helium clusters: An application of hybrid method of quantum wavepacket dynamics and path integral centroid molecular dynamics," T. Takayanagi and M. Shiga, Chem. Phys. Lett., 372, 90-96 (2003).

[89] "Theoretical simulations on photoexcitation dynamics of the silver atom embedded in helium clusters," A. Wada, T. Takayanagi, and M. Shiga, J. Chem. Phys., 119, 5478-5486 (2003).

[90] "Quantum path-integral molecular dynamics calculations of the dipole-boundstate of the water dimer anion," M. Shiga and T. Takayanagi, Chem. Phys. Lett., 378, 539-547 (2003).

[91] "Global ab initio potential energy surfaces for the lowest three doublet states (12A', 22A', and 12A") of the BrH2 system," Y. Kurosaki and T. Takayanagi, J. Chem. Phys., 119, 7838-7856 (2003).

[92] "Exit interaction effect of nascent product state distribution of O(1D) + N2O ¨ NO + NO," S. Kawai, Y. Fujimura, O. Kajimoto, and T. Takayanagi, J. Chem. Phys., 120, 6430-6438 (2004).

[93] "Theoretical simulations of dynamics of excess electron attachment toacetonitrile clusters," T. Takayanagi, Chem. Phys., 302, 85-93 (2004).

[94] "The effect of spin-orbit coupling on fast neutral chemical reaction, O(3P) + CH3 ¨ CH3O," K. Yagi, T. Takayanagi, T. Taketsugu, and K. Hirao, J. Chem. Phys., 120, 10395-10403 (2004).

[95] "Theoretical study on photoabsorption dynamics of the K atom attached to helium clusters and the solvation structures of K*Hen exciplexes," T. Takayanagi and M. Shiga, Phys. Chem. Chem. Phys., 6, 3241-3247 (2004).

[96] "Kinetic measurements for the reactions of ozone with crotonaldehyde and its methyl derivatives and calculations of transition-state theory," K. Sato, B. Klotz, T. Taketsugu, and T. Takayanagi, Phys. Chem. Chem. Phys., 6, 3969-3976 (2004).