Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
Export 7 results:
RTF
Tagged
XML
BibTex
Sort by: [
Author
]
Title
Type
Year
A
B
C
D
E
F
G
H
I
J
K
L
[M]
N
O
P
Q
R
S
T
U
V
W
X
Y
Z
[
Show ALL
]
M
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.
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, 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.
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.
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.
Mano, P, Namuangruk S, Takahashi K.
2023.
“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
.
Journal of Physical Chemistry C. 127:7683−7694.
Announcements
People
Publications
Ionization
Reactivity
Resonances
Vib Calc
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