Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
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A
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.
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.
C
Lin, L-C, Chao W, Smith M, Lin JJ-M, Takahashi K.
2016.
Competition between water monomer and dimer in the reaction with H2COO and CH3CHOO
.
Physical Chemistry Chemical Physics. 18:4557-4568.
D
Takahashi, K, Plath K, Axson J, Nelson G, Skodje RT, Vaida V.
2010.
Dynamics and Spectroscopy of Vibrational Overtone Excited Glyxoylic Acid and 2,2-Dihydroxyacetic Acid in the Gas-Phase
.
The Journal of Chemical Physics. 132:094305.
E
Yin, C, Takahashi K.
2018.
Effect of unsaturated substituents in the reaction of Criegee intermediates with water vapor
.
Physical Chemistry Chemical Physics . 20:20217-20227.
Punyain, W, Takahashi K.
2021.
Evaluation of Ar tagging toward the vibrational spectra and zero point energy of X-HOH, X-DOH, and X-HOD, for X=F, Cl, Br
.
Physical Chemistry Chemical Physics. 23:9492-9499.
F
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.
G
Axson, JL, Takahash K, Haan DDO, Vaida V.
2010.
Gas Phase water mediated equilibrium between methylglyoxal and its geminal diol
.
Proceedings of National Academy of Science. 107:6687-6692.
H
Yin, C, Takahashi K.
2018.
How big is the substituent dependence of the solar photolysis rate of Criegee intermediates?
Physical Chemistry Chemical Physics. 20:16247-16255.
Yin, C, Takahashi K.
2017.
How does substitution affect the unimolecular reaction rates of Criegee intermediates?
Physical Chemistry Chemical Physics. 19:12075-12084.
I
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.
L
Matsuda, Y, Endo T, Mikami N, Fujii A, Morita M, Takahashi K.
2015.
The large variation in acidity of diethylether cation induced by internal rotation around a single covalent bond
.
Journal of Physical Chemistry A. 119:4885-4890.
M
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.
N
Hirokazu Takahashi, Takahashi K, Satoshi Yabushita.
2015.
A New Interpretation of Semiclassical Transition Moments through Wavefunction Expansion of Dipole Moment Function with Application to the OH Stretching Spectra of Simple Acids and Alcohols
.
Journal of Physical Chemistry A. 119:4834-4845.
O
Yoshida, D, Takahashi K.
2019.
Odd-Even Reactivity Variation due to Dynamical Effects around the Roaming Saddle Point of the Reaction Between Cn- Chain (n =2-8) and H2
.
Journal of Physical Chemistry A. 123:5300-5308.
P
Zhou, T, Wang L, Huang X, Unruangsri J, Wang R, Yang Q, Wang C, Takahashi K, Xu H, Guo J.
2021.
PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution
.
Nature Communications. 12:3934.
Q
Xu, Y, Tzeng SY, Shivatare V, Takahashi K, Zhang B, Tzeng WB.
2015.
Quantification of all four rotamers of m-methoxystyrene studied by resonant two-photon ionization and mass analyzed threshold ionization spectroscopy
.
Journal of Chemical Physics. 142:124314.
R
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.
Lin, Y-H, Takahashi K, Lin JJ-M.
2018.
The reactivity of Criegee intermediates towards carbon dioxide
.
Journal of Physical Chemistry Letters. 9:184-188.
S
Son, DN, Takahashi K.
2012.
Selectivity of Palladium-Cobalt Surface Alloy towards Oxygen Reduction Reaction
.
Journal of Physical Chemistry C. 116:6200-6207.
Takahashi, K, Hayes MY, Skodje RT.
2013.
A study of resonance progressions in the F+HCl→Cl+HF reaction: A lifetime matrix analysis of pre-reactive and post-reactive collision complexes
.
Journal of Chemical Physics. 138:024309.
Roongcharoen, T, Mano P, Jitwatanasirikul T, Sikam P, Butburee T, Takahashi* K, Namuangruk* S.
2022.
Synergic Cooperation of Ni, Mn and N-vacancy in Graphitic Carbon Nitride Sheets for Boosting Carbon Dioxide Electrochemical Reduction to Ethanol
.
Applied Surface Science . 595:153527.
Chao, W, Yin C, Li Y-L, Takahashi K, Lin JJ-M.
2019.
Synergy of water and ammonia hydrogen bonding in a gas-phase reaction
.
Journal of Physical Chemistry A. 123:1337-1342.
T
Chao, W, Lin Y-H, Yin C, Lin W-H, Takahashi K, Lin JJ-M.
2019.
Temperature and Isotope Effects in the Reaction of CH3CHOO with methanol
.
Physical Chemistry Chemical Physics. 21:13633-13640.
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Recent Publications
“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
Evaluation of Ar tagging toward the vibrational spectra and zero point energy of X-HOH, X-DOH, and X-HOD, for X=F, Cl, Br
more