INIS
absorption
52%
absorption spectra
88%
absorption spectroscopy
18%
accuracy
21%
applications
18%
approximations
24%
born-oppenheimer approximation
9%
comparative evaluations
13%
coordinates
12%
correlations
13%
coupling
25%
crystals
21%
cyanine dyes
36%
density functional method
56%
dimers
36%
dipoles
18%
dyes
18%
energy
20%
enols
18%
equilibrium
26%
excitation
32%
excited states
32%
fluorescence
36%
geometry
20%
integral equations
9%
investigations
36%
levels
24%
modifications
9%
monomers
16%
nanoparticles
18%
optical properties
20%
optimization
10%
peaks
13%
pigments
18%
prediction
31%
proteins
36%
pyrazoles
9%
raman spectra
18%
resonance
12%
scaling
19%
scattering
18%
shape
32%
simulation
77%
size
18%
solutions
23%
solvents
25%
spectra
44%
time dependence
50%
variations
9%
wavelengths
13%
Chemistry
Absorption Spectroscopy
18%
Absorption Spectrum
100%
Acetic Acid
9%
Born-Oppenheimer Approximation
9%
Chromophore
36%
Cyanine Dye
18%
Density Functional Theory
14%
DFT-B3LYP Calculation
6%
Dimerization
6%
Donor
9%
E Isomer
6%
Electronic Transition
9%
Emission Spectra
18%
Enol
18%
Excited State
36%
Exciton
10%
First Principle
18%
Green Fluorescent Protein
8%
Monomer
25%
Nonequilibrium
6%
Oscillator Strength
8%
Phenyl Group
9%
Pigment
18%
Polarizability
6%
Pyrazole
9%
Quantum Chemical Calculations
18%
Raman Spectrum
18%
Solvent Effect
27%
Structure
10%
Thiazolidinone
9%
Thioxo Group
9%
Time-Dependent Density Functional Theory
59%
Ultraviolet Spectrum
36%
UV/VIS Spectroscopy
11%
Vibrational Excitation
14%
Vibrational Frequency
13%
Vibronic Coupling
18%
Keyphrases
4-Thiazolidinone
6%
Absorption Spectra
6%
Born-Oppenheimer Approximation
6%
Computational Scheme
6%
Coupling Energy
10%
Cyanine Dyes
18%
Deprotonated
6%
Diagonalization
9%
Dioxo
6%
DsRed
6%
Duschinsky Rotation
9%
E-isomer
6%
Exchange-correlation Functionals
12%
Excitation Energy
6%
Excitation Wavelength
6%
Exciton Coupling
10%
Fast Simulation
6%
First Excited State
6%
Fluorescent Chromophores
18%
Franck-Condon Factors
6%
Franck-Condon Overlap Integrals
18%
Geometry Relaxation
6%
Gradient Method
12%
Green Fluorescent Protein
6%
Huang-Rhys Factor
18%
Hypsochromic Shift
9%
Isoxazolinones
6%
Linear Scaling
9%
Merocyanine Dyes
18%
Meta-GGA
6%
Multimode Simulation
18%
Normal Coordinates
12%
Off-resonance
18%
Organic Nanoparticles
18%
Organic pigments
18%
Peak Broadening
12%
Perylene Tetracarboxylic Diimide
18%
Pyrazole
6%
Raman Signature
6%
Raman Spectra
6%
Resonance Raman Spectra
18%
Rotation Effect
9%
Scaling Procedure
9%
Thioxo Group
6%
Time-dependent Density Functional Theory
18%
Trimethine Cyanine Dyes
6%
Two-hybrid
6%
Vibrational Signature
6%
Vibronic Structure
6%
Visible Light Absorption
9%
