Kaito Takahashi
Theoretical Reaction Dynamics Lab
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Chang, Y-P, Chun-Hung Chang, Takahashi K, Lin JJ-M.
2016.
Absolute UV absorption cross sections of dimethyl substituted Criegee intermediate (CH3)2COO
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Chemical Physics Letters. 653:155-160.
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
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
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