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