Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
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E
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.
H
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.
O
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.
P
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.
S
Chao, W, Yin C, Li Y-L, Takahashi K, Lin JJ-M.
2019.
Synergy of water and ammonia hydrogen bonding in a gas-phase reaction
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Journal of Physical Chemistry A. 123:1337-1342.
T
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
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Journal of Physical Chemistry A. 123:4096-4103.
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
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Journal of Physical Chemistry A . 115:5641-5653.
U
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.
W
Chao, W, Lin JJ-M, Takahashi K, Tomas A, Yu L, Kajii Y, Batut S, Schoemaecker C, Fittschen C.
2019.
Water Vapor Does Not Catalyze the Reaction between Methanol and OH Radicals
.
Angewandte Chemie International Edition. 58:5013-5017.
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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
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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