Kaito Takahashi
Theoretical Reaction Dynamics Lab
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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.
Hirokazu Takahashi, Takahashi K, Satoshi Yabushita.
2015.
A New Interpretation of Semiclassical Transition Moments through Wavefunction Expansion of Dipole Moment Function with Application to the OH Stretching Spectra of Simple Acids and Alcohols
.
Journal of Physical Chemistry A. 119:4834-4845.
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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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