Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
Export 9 results:
RTF
Tagged
XML
BibTex
Sort by:
Author
Title
Type
[
Year
]
2020
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.
2019
Chao, W, Lin JJ-M, Takahashi K, Tomas A, Yu L, Kajii Y, Batut S, Schoemaecker C, Fittschen C.
2019.
Water Vapor Does Not Catalyze the Reaction between Methanol and OH Radicals
.
Angewandte Chemie International Edition. 58:5013-5017.
2017
Smith, MC, Chao W, Kumar M, Francisco JS, Takahashi K, Lin JJ-M.
2017.
Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide
.
Journal of Physical Chemistry A. 121:938-945.
2015
Li, J-W, Morita M, Takahashi* K, Kuo* J-L.
2015.
Features in Vibrational Spectra Induced by Ar-tagging for H3O+Arm m=0-3
.
J. Phys. Chem. A.. 119:10887-10892.
Ogata, Y, Kawashima Y, Takahashi K, Tachikawa M.
2015.
Is the structure of hydroxide dihydrate OH-(H2O)2? : An ab initio path integral molecular dynamics study
Theoretical Chemistry Accounts. 134:1587.
Ogata, Y, Kawashima Y, Takahashi K, Tachikawa M.
2015.
Theoretical vibrational spectra of OH−(H2O)2: Effect of quantum distribution and vibrational coupling
.
Phys. Chem. Chem. Phys. 17:25505-25515.
2014
Mica C. Smith, Wei-Lun Ting, Chun-Hung Chang, Takahashi K, Kristie A. Boering, Lin JJ-M.
2014.
UV Absorption Spectrum of the C2 Criegee Intermediate CH3CHOO
.
Journal of Chemical Physics. 141:,074302.
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.
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.
Announcements
People
Publications
Ionization
Reactivity
Resonances
Vib Calc
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
more