Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
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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.
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.
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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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