Kaito Takahashi
Theoretical Reaction Dynamics Lab
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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.
Y
Yu-Lung Cheng, Hui-Yi Chen, Takahashi K.
2011.
Theoretical Calculation of the OH Vibrational Overtone Spectra of 1-n Alkane Diols (n=2-4): Origin of Disappearing Hydrogen Bonded OH Peak
.
Journal of Physical Chemistry A . 115:5641-5653.
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.
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.
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.
X
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.
T
Tan, J, Takahashi K.
2022.
Vibrational Spectrum of a 1D Oscillator: The Quantum, the Wigner, and the Classical Ways
.
” Journal of Chinese Chemical Society. 70:495-510.
Takahashi, K.
2010.
Theoretical Study on the Effect of Intramolecular Hydrogen Bonding on OH Stretching Overtone Decay Lifetime of Ethylene Glycol, 1-3 Propanediol, and 1-4 Butanediol
.
Physical Chemistry Chemical Physics. 12:13950-13961.
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.
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.
Takahashi, K.
2020.
Theoretical Study on the Direction of the Vibrational Transition Dipole Moment of XH Stretching Vibration in HXD
.
Chinese Journal of Chemical Physics. 33:13-22.
S
Son, DN, Takahashi K.
2012.
Selectivity of Palladium-Cobalt Surface Alloy towards Oxygen Reduction Reaction
.
Journal of Physical Chemistry C. 116:6200-6207.
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.
Smith, MC, Chao W, Takahashi K, Boering KA, Lin JJ-M.
2016.
Unimolecular Decomposition Rate of the Criegee Intermediate (CH3)2COO Measured Directly with UV Absorption Spectroscopy
.
Journal of Physical Chemistry A. 120:4789-4798.
Sikam, P, Jitwatanasirikul T, Roongcharoen T, Yodsin N, Meeprasert J, Takahashi* K, Namuangruk* S.
2022.
Understanding the interaction between transition metal doping and ligand atoms of ZnS and ZnO monolayers to promote CO2 reduction reaction
.
Phys. Chem. Chem. Phys. . 24:12909-12921.
R
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.
P
Punyain, K, Takahashi* K.
2016.
Theoretical analysis on vibrational and photodetachment spectra of X-H2O, X=F, Cl, Br
.
Physical Chemistry Chemical Physics. 18:26970-26979.
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.
O
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.
M
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.
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.
2012.
Theoretical Study on the OH Vibrational Spectra of OH-(H2O)3 and OH-(H2O)4
.
Physical Chemistry Chemical Physics . 14:2797-2808.
Morita, M, Hirokazu Takahashi, Satoshi Yabushita, Takahashi K.
2014.
Why does the IR Spectra of Hydroxide Stretching Vibration weaken with increase in hydration?
Physical Chemistry Chemical Physics. 16:23143-23149.
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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
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
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