Kaito Takahashi
Theoretical Reaction Dynamics Lab
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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
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Journal of Physical Chemistry A. 123:5300-5308.
Yin, C, Takahashi K.
2018.
Effect of unsaturated substituents in the reaction of Criegee intermediates with water vapor
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Physical Chemistry Chemical Physics . 20:20217-20227.
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.
How big is the substituent dependence of the solar photolysis rate of Criegee intermediates?
Physical Chemistry Chemical Physics. 20:16247-16255.
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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
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
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
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