Kaito Takahashi

Theoretical Reaction Dynamics Lab

Publications

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2015
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

  • 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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