Publications

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A
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.
C
Chang, Y-P, Chun-Hung Chang, Takahashi K, Lin JJ-M.  2016.  Absolute UV absorption cross sections of dimethyl substituted Criegee intermediate (CH3)2COO. Chemical Physics Letters. 653:155-160.
Chao, W, Yin C, Li Y-L, Takahashi K, Lin JJ-M.  2019.  Synergy of water and ammonia hydrogen bonding in a gas-phase reaction. Journal of Physical Chemistry A. 123:1337-1342.
Chao, W, Lin Y-H, Yin C, Lin W-H, Takahashi K, Lin JJ-M.  2019.  Temperature and Isotope Effects in the Reaction of CH3CHOO with methanol. Physical Chemistry Chemical Physics. 21:13633-13640.
Chao, W, Lin JJ-M, Takahashi K, Tomas A, Yu L, Kajii Y, Batut S, Schoemaecker C, Fittschen C.  2019.  Water Vapor Does Not Catalyze the Reaction between Methanol and OH Radicals. Angewandte Chemie International Edition. 58:5013-5017.
H
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.
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.
K
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.
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.
Kuo, M-T, Takahashi K, Lin JJ-M.  2020.  Reactions of Criegee Intermediates are Enhanced by Hydrogen-atom Relay Through Molecular Design. ChemPhysChem. 21:2056-2059.
L
Li, J-W, Morita M, Takahashi* K, Kuo* J-L.  2015.  Features in Vibrational Spectra Induced by Ar-tagging for H3O+Arm m=0-3. J. Phys. Chem. A.. 119:10887-10892.
Li, Y-L, Lin Y-H, Chiang C-Y, Yin C, Chang Y-P, Takahashi K, Lin JJ-M.  2019.  Temperature-dependent Rate Coefficients for the Reaction of CH3SH with Simplest Criegee intermediates. Journal of Physical Chemistry A. 123:4096-4103.
Lin, L-C, Takahashi K.  2016.  “Will (CH3)2COO survive humidity? Journal of Chinese Chemical Society. 63:472-479.
Lin, L-C, Chao W, Chun-Hung Chang, Takahashi K, Lin JJ-M.  2016.  Temperature dependence of the reaction of anti-CH3CHOO with water vapor. Physical Chemistry Chemical Physics. 18:28189-28197.
Lin, L-C, Chao W, Smith M, Lin JJ-M, Takahashi K.  2016.  Competition between water monomer and dimer in the reaction with H2COO and CH3CHOO. Physical Chemistry Chemical Physics. 18:4557-4568.
Lin, Y-H, Takahashi K, Lin JJ-M.  2018.  The reactivity of Criegee intermediates towards carbon dioxide. Journal of Physical Chemistry Letters. 9:184-188.
M
Mano, P, Namuangruk S, Takahashi K.  2023.  “Origin of strong CO binding and low C-C coupling barrier for ethanol synthesis on non-metal doped graphyne: Bond order conservation and flexible orbital hybridization. Journal of Physical Chemistry C. 127:7683−7694.
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.
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, 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.
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.
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.
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.
O
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.
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.