Kaito Takahashi
Theoretical Reaction Dynamics Lab
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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.
Kramer, ZC, Takahashi K, Vaida V, Skodje RT.
2012.
Will Water Act as a Photo-Catalyst for Cluster Phase Chemical Reactions? Vibrational Overtone Induced Dehydration of Methanediol
Journal of Chemical Physics. 136:164302.
Kuo, M-T, Takahashi K, Lin JJ-M.
2020.
Reactions of Criegee Intermediates are Enhanced by Hydrogen-atom Relay Through Molecular Design
.
ChemPhysChem. 21:2056-2059.
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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
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
Understanding the interaction between transition metal doping and ligand atoms of ZnS and ZnO monolayers to promote CO2 reduction reaction
PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution
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