Publications

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Zhou, T, Wang L, Huang X, Unruangsri J, Wang R, Yang Q, Wang C, Takahashi K, Xu H, Guo J.  2021.  PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution. Nature Communications. 12:3934.
Y
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.
Yoshida, D, Takahashi K.  2019.  Odd-Even Reactivity Variation due to Dynamical Effects around the Roaming Saddle Point of the Reaction Between Cn- Chain (n =2-8) and H2. Journal of Physical Chemistry A. 123:5300-5308.
Yin, C, Takahashi K.  2018.  How big is the substituent dependence of the solar photolysis rate of Criegee intermediates? Physical Chemistry Chemical Physics. 20:16247-16255.
Yin, C, Takahashi K.  2017.  How does substitution affect the unimolecular reaction rates of Criegee intermediates? Physical Chemistry Chemical Physics. 19:12075-12084.
Yin, C, Takahashi K.  2018.  Effect of unsaturated substituents in the reaction of Criegee intermediates with water vapor. Physical Chemistry Chemical Physics . 20:20217-20227.
X
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.
T
Tan, J, Takahashi K.  2022.  Vibrational Spectrum of a 1D Oscillator: The Quantum, the Wigner, and the Classical Ways. ” Journal of Chinese Chemical Society. 70:495-510.
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.
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.
Takahashi, K.  2020.  Theoretical Study on the Direction of the Vibrational Transition Dipole Moment of XH Stretching Vibration in HXD. Chinese Journal of Chemical Physics. 33:13-22.
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.
S
Son, DN, Takahashi K.  2012.  Selectivity of Palladium-Cobalt Surface Alloy towards Oxygen Reduction Reaction. Journal of Physical Chemistry C. 116:6200-6207.
Smith, MC, Chao W, Kumar M, Francisco JS, Takahashi K, Lin JJ-M.  2017.  Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide. Journal of Physical Chemistry A. 121:938-945.
Smith, MC, Chao W, Takahashi K, Boering KA, Lin JJ-M.  2016.  Unimolecular Decomposition Rate of the Criegee Intermediate (CH3)2COO Measured Directly with UV Absorption Spectroscopy. Journal of Physical Chemistry A. 120:4789-4798.
Sikam, P, Jitwatanasirikul T, Roongcharoen T, Yodsin N, Meeprasert J, Takahashi* K, Namuangruk* S.  2022.  Understanding the interaction between transition metal doping and ligand atoms of ZnS and ZnO monolayers to promote CO2 reduction reaction. Phys. Chem. Chem. Phys. . 24:12909-12921.
R
Roongcharoen, T, Mano P, Jitwatanasirikul T, Sikam P, Butburee T, Takahashi* K, Namuangruk* S.  2022.  Synergic Cooperation of Ni, Mn and N-vacancy in Graphitic Carbon Nitride Sheets for Boosting Carbon Dioxide Electrochemical Reduction to Ethanol. Applied Surface Science . 595:153527.
P
Punyain, W, Takahashi K.  2021.  Evaluation of Ar tagging toward the vibrational spectra and zero point energy of X-HOH, X-DOH, and X-HOD, for X=F, Cl, Br. Physical Chemistry Chemical Physics. 23:9492-9499.
Punyain, K, Takahashi* K.  2016.  Theoretical analysis on vibrational and photodetachment spectra of X-H2O, X=F, Cl, Br. Physical Chemistry Chemical Physics. 18:26970-26979.
O
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.
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.
M
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.  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.