Kaito Takahashi
Theoretical Reaction Dynamics Lab
Publications
Export 2 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
]
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.
T
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.
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
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
more