Kaito Takahashi
Theoretical Reaction Dynamics Lab
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2013
Morita, M, Takahashi K.
2013.
Multidimensional local mode calculations for the vibrational spectra of OH-(H2O)2 and OH-(H2O)2•Ar
.
Physical Chemistry Chemical Physics. 15:14973-14985.
Morita, M, Takahashi K.
2013.
Multidimensional OH local mode calculations for OH-(H2O)3 ~ Importance of intermode anharmonicity ~
.
Physical Chemistry Chemical Physics . 15:114-124.
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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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