Kaito Takahashi

Theoretical Reaction Dynamics Lab

Publications

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2016
Chang, Y-P, Chun-Hung Chang, Takahashi K, Lin JJ-M.  2016.  Absolute UV absorption cross sections of dimethyl substituted Criegee intermediate (CH3)2COO. Chemical Physics Letters. 653:155-160.
2012
Kambara, O, Takahashi K, Hayashi M, Kuo J-L.  2012.  Assessment of density functional theory to calculate the phase transition pressure of ice at 0K. Physical Chemistry Chemical Physics. 14:11484-11490.
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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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