Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
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2020
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.
2019
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.
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.
2017
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.
2016
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.
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.
2015
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.
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.
2011
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.
2010
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.
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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
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
PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution
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