Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
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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.
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.
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.
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.
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.
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.
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.
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.
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.
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Recent Publications
Controlling C–C coupling reactivity through pore shape engineering of B-doped graphyne family
“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
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
Synergic Cooperation of Ni, Mn and N-vacancy in Graphitic Carbon Nitride Sheets for Boosting Carbon Dioxide Electrochemical Reduction to Ethanol
PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution
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