Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
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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.
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.
S
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.
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.
Son, DN, Takahashi K.
2012.
Selectivity of Palladium-Cobalt Surface Alloy towards Oxygen Reduction Reaction
.
Journal of Physical Chemistry C. 116:6200-6207.
T
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.
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.
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.
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.
Y
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.
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.
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.
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.
Z
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.
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Recent Publications
“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
Synergic Cooperation of Ni, Mn and N-vacancy in Graphitic Carbon Nitride Sheets for Boosting Carbon Dioxide Electrochemical Reduction to Ethanol
Understanding the interaction between transition metal doping and ligand atoms of ZnS and ZnO monolayers to promote CO2 reduction reaction
Vibrational Spectrum of a 1D Oscillator: The Quantum, the Wigner, and the Classical Ways
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
PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution
more