Publications

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2023
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.
2022
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.
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.
2015
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.
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.
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.
2012
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.