Takayanagi Lab.

[141] "Quantum tautomerization in porphycene and its isotopomers: Path integral molecular dynamics simulations," T.Yoshikawa, S.Sugawara, T. Takayanagi, M.Shiga and M.Tachikawa, Chem. Phys., 394, 46-51 (2012).

[142] "Real Wave Packet and Flux Analysis Studies of the H + F₂ -> HF + F Reaction," F. Gogtas, E. Karabulut, T. Takayanagi, T. Tanaka and R. Tutuk, Int. J. Quantum Chem., 112, 2348-2354 (2012).

[143] "Rare gas bond property of Rg-Be₂O₂ and Rg-Be₂O₂-Rg (Rg = He, Ne, Ar, Kr and Xe) as a comparison with Rg-BeO," T. Kobayashi, Y. Kohno, T. Takayanagi, K. Seki and K. Ueda, Comp. Theo. Chem., 991, 48-55 (2012).

[144] "Ab initio prediction of vibrational states of the HeCuF helium-containing complex," T. Tanaka, T. Takayanagi, T. Taketsugu, Y. Ono, Chem. Phys. Lett., 539-540, 15-18 (2012).

[145] "A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory," Y. Sugioka, T. Takayanagi, Chem. Phys., 405, 189-196 (2012).

[146] "Quantum-Thermal Crossover of Hydrogen and Tritium Diffusion in α-Iron," T. Yoshikawa, T. Takayanagi, H. Kimizuka, M. Shiga, J. Phys. Chem. C, 116, 23113-23119 (2012).

[147] "Application of ring-polymer molecular dynamics to electronically nonadiabatic excess electron dynamics in water clusters: importance of nuclear quantum effects," T. Yoshikawa, T. Takayanagi, Chem. Phys. Lett., 564, 1-5 (2013) (selected as an editor's choice article).

[148] "Preference Behavior on Donating Atoms of an Ambidentate Ligand 2-Methylisothiazol-3(2H)-one in its Metal Complexes," M. Kato, K. Unoura, T. Takayanagi, Y. Ikeda, T. Fujihara, and A. Nagasawa, Inorg. Chem., 52, 13375-13383 (2013).

[149] "Theoretical Study of Excess Electron Attachment Dynamics to the Guanine-Cytosine Base Pair: Electronic Structure Calculations and Ring-Polymer Molecular Dynamics Simulations," Y. Sugioka, T. Yoshikawa, and T. Takayanagi, J. Phys. Chem. A, 117, 11403-11410 (2013).

[150] "Theoretical study of N(⁴S, ²D) + CH₃(²A₂") reaction mechanisms revisited: the importance of spin-forbidden and roaming dynamics processes," S. Chiba, F. Yoshida and T. Takayanagi, Chem. Phys. Lett., 595-596, 103-108, (2014).

[151] "Non-adiabatic relaxation dynamics of water anion cluster and its isotope effects by ring-polymer molecular dynamics simulation," T. Yoshikawa, T. Takayanagi, Int. J. Quantum Chem., 114, 636-641 (2014).

[152] "Construction of global ab initio potential energy surface for the HNS system and quantum dynamics calculations for the S(³P) + NH(X³Σ) -> NS(X²Π) + H(²S) and N(⁴S) + SH(X²Π) -> NS(X²Π) + H(²S) reactions," K. Sato, T. Takayanagi, Chem. Phys., 439, 63-70 (2014).

[153] "Quantum localization/delocalization of muonium in the glycine-K⁺ complex," T. Yoshikawa, T. Honda, T. Takayanagi, Chem. Phys., 440, 135-141 (2014).

[154] "Application of long-range corrected density-functional theory to excess electron attachment to biomolecules," Y. Yokoi, K. Kano, Y. Minoshima, T. Takayanagi, Comp. Theo. Chem., 1046, 99-106 (2014).

[155] "Mode Selective Dynamics and Kinetics of the H₂ + F₂ -> H + HF + F Reaction," A. Matsugi, T. Takayanagi, Phys. Chem. Chem. Phys., 16, 22517-22526 (2014).

[156] "Fundamental Change in the Nature of Chemical Bonding by Isotopic Substitution," D.G. Fleming, J. Manz, K. Sato, T. Takayanagi, Angew. Chem. Int. Ed., 53, 13706-13709 (2014).

[157] "Quantum reactive scattering study of the S(³P) + NH(X³Σ) -> NS(X²Π) + H(²S) / SH(X²Π) + N(⁴S) reaction on the lowest three (¹A', ¹A", and ³A") potential energy surfaces: Contribution of HNS/HSN isomerization and spin-forbidden process," K. Sato, T. Takayanagi, Chem. Phys., 450-451, 74-82 (2015).

[158] "Semiclassical dynamics of electron attachment to guanine-cytosine base pair," T. Honda, Y. Minoshima, Y. Yokoi, M. Shiga, T. Takayanagi, Chem. Phys. Lett., 625, 174-178 (2015).

[159] "Direct dynamics study of the N(⁴S) +CH₃(²A₂") reaction," S. Chiba, T. Honda, M. Kondo, T. Takayanagi, Comp. Theo. Chem., 1061, 46-51 (2015).

[160] "From photoelectron detachment spectra of BrHBr^-, BrDBr^- and IHI^-, IDI^- to vibrational bonding of BrMuBr and IMuI," J. Manz, K. Sato, T. Takayanagi T. Yoshida, J. Chem. Phys., 142, 164308 (2015).

[161] "First-Principles Simulations of Transition State Spectra of the I + HI and I + DI Reactions and Vibrational Bonding in IMuI," T. Yoshida, K. Sato, T. Takayanagi, Chem. Phys., 457, 51-56 (2015).

[162] "Theoretical analysis of the transition-state spectrum of the cyclooctatetraene unimolecular reaction: Three degree-of-freedom model caluculations," T. Yoshida, C. Tokizaki, T. Takayanagi, Chem. Phys. Lett., 634, 134-139 (2015).

[163] "Electron accommodation dynamics in the DNA base thymine," S. B. King, A. B. Stephansen, Y. Yokoi, M. A. Yandell, A. Kunin, T. Takayanagi, D. M. Neumark, J. Chem. Phys., 143, 024312 (2015).

[164] "Dynamics of dipole- and valence bound anions in iodide-adenine binary complexes: A time-resolved photoelectron imaging and quantum mechanical investigation," A. B. Stephansen, S. King, Y. Yokoi, Y. Minoshima, W. L. Li, A. Kunin, T. Takayanagi, and D. M. Neumark.J. Chem. Phys., 143, 104308 (2015).