Publications

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2015
Ogata, Y, Kawashima Y, Takahashi K, Tachikawa M.  2015.  Is the structure of hydroxide dihydrate OH-(H2O)2? : An ab initio path integral molecular dynamics study Theoretical Chemistry Accounts. 134:1587.
Matsuda, Y, Endo T, Mikami N, Fujii A, Morita M, Takahashi K.  2015.  The large variation in acidity of diethylether cation induced by internal rotation around a single covalent bond. Journal of Physical Chemistry A. 119:4885-4890.
Hirokazu Takahashi, Takahashi K, Satoshi Yabushita.  2015.  A New Interpretation of Semiclassical Transition Moments through Wavefunction Expansion of Dipole Moment Function with Application to the OH Stretching Spectra of Simple Acids and Alcohols. Journal of Physical Chemistry A. 119:4834-4845.
Xu, Y, Tzeng SY, Shivatare V, Takahashi K, Zhang B, Tzeng WB.  2015.  Quantification of all four rotamers of m-methoxystyrene studied by resonant two-photon ionization and mass analyzed threshold ionization spectroscopy. Journal of Chemical Physics. 142:124314.
Ogata, Y, Kawashima Y, Takahashi K, Tachikawa M.  2015.  Theoretical vibrational spectra of OH−(H2O)2: Effect of quantum distribution and vibrational coupling. Phys. Chem. Chem. Phys. 17:25505-25515.
2014
Mica C. Smith, Wei-Lun Ting, Chun-Hung Chang, Takahashi K, Kristie A. Boering, Lin JJ-M.  2014.  UV Absorption Spectrum of the C2 Criegee Intermediate CH3CHOO. Journal of Chemical Physics. 141:,074302.
Morita, M, Hirokazu Takahashi, Satoshi Yabushita, Takahashi K.  2014.  Why does the IR Spectra of Hydroxide Stretching Vibration weaken with increase in hydration? Physical Chemistry Chemical Physics. 16:23143-23149.
2013
Morita, M, Takahashi K.  2013.  Multidimensional local mode calculations for the vibrational spectra of OH-(H2O)2 and OH-(H2O)2•Ar. Physical Chemistry Chemical Physics. 15:14973-14985.
Morita, M, Takahashi K.  2013.  Multidimensional OH local mode calculations for OH-(H2O)3 ~ Importance of intermode anharmonicity ~. Physical Chemistry Chemical Physics . 15:114-124.
Takahashi, K, Hayes MY, Skodje RT.  2013.  A study of resonance progressions in the F+HCl→Cl+HF reaction: A lifetime matrix analysis of pre-reactive and post-reactive collision complexes. Journal of Chemical Physics. 138:024309.
2012
Kambara, O, Takahashi K, Hayashi M, Kuo J-L.  2012.  Assessment of density functional theory to calculate the phase transition pressure of ice at 0K. Physical Chemistry Chemical Physics. 14:11484-11490.
Son, DN, Takahashi K.  2012.  Selectivity of Palladium-Cobalt Surface Alloy towards Oxygen Reduction Reaction. Journal of Physical Chemistry C. 116:6200-6207.
Morita, M, Takahashi K.  2012.  Theoretical Study on the OH Vibrational Spectra of OH-(H2O)3 and OH-(H2O)4. Physical Chemistry Chemical Physics . 14:2797-2808.
Kramer, ZC, Takahashi K, Vaida V, Skodje RT.  2012.  Will Water Act as a Photo-Catalyst for Cluster Phase Chemical Reactions? Vibrational Overtone Induced Dehydration of Methanediol Journal of Chemical Physics. 136:164302.
2011
Hui-Yi Chen, Yu-Lung Cheng, Takahashi K.  2011.  Theoretical Calculation of the OH Vibrational Overtone Spectra of 1-5 Pentanediol and 1-6 Hexanediol. Journal of Physical Chemistry A. 115:14315.
Yu-Lung Cheng, Hui-Yi Chen, Takahashi K.  2011.  Theoretical Calculation of the OH Vibrational Overtone Spectra of 1-n Alkane Diols (n=2-4): Origin of Disappearing Hydrogen Bonded OH Peak. Journal of Physical Chemistry A . 115:5641-5653.
2010
Takahashi, K, Plath K, Axson J, Nelson G, Skodje RT, Vaida V.  2010.  Dynamics and Spectroscopy of Vibrational Overtone Excited Glyxoylic Acid and 2,2-Dihydroxyacetic Acid in the Gas-Phase. The Journal of Chemical Physics. 132:094305.
Axson, JL, Takahash K, Haan DDO, Vaida V.  2010.  Gas Phase water mediated equilibrium between methylglyoxal and its geminal diol. Proceedings of National Academy of Science. 107:6687-6692.
Takahashi, K.  2010.  Theoretical Study on the Effect of Intramolecular Hydrogen Bonding on OH Stretching Overtone Decay Lifetime of Ethylene Glycol, 1-3 Propanediol, and 1-4 Butanediol. Physical Chemistry Chemical Physics. 12:13950-13961.