INIS
investigations
85%
density functional method
64%
nonlinear problems
64%
values
57%
harmonics
53%
functionals
49%
accuracy
49%
libraries
42%
hybrids
42%
solutions
42%
correlations
42%
rayleigh scattering
42%
chemistry
42%
stilbene
42%
cost
38%
wave functions
32%
range
32%
experimental data
30%
errors
27%
comparative evaluations
27%
orientation
21%
variations
21%
absorption
21%
nanostructures
21%
polymers
21%
amplitudes
21%
matrices
21%
solids
21%
dipole moments
21%
kinetics
21%
tuning
21%
substrates
21%
spectroscopy
21%
symmetry
21%
optical properties
21%
second-harmonic generation
21%
chloroform
21%
molecules
21%
reliability
19%
cam
17%
solvents
17%
scattering
10%
quadratures
10%
grids
10%
hartree-fock method
10%
measured values
8%
polynomials
8%
dispersions
8%
solvation
8%
accounting
8%
Keyphrases
Click-iT
42%
Photoswitches
42%
Azobenzene
42%
Second Harmonic
42%
Harmonic Response
42%
Density Functional Theory
42%
Hyper-Rayleigh Scattering
42%
Cis-stilbene
42%
Trans-stilbene
42%
Third-order Nonlinear Optical Response
42%
Quantum Chemistry
42%
Delocalization Error
39%
DFT Calculations
35%
Koopman Theory
28%
CAM-B3LYP
28%
Hyperpolarizability
21%
Micro-nano
21%
Micro-sized
21%
Solid Substrate
21%
Second Harmonic Generation
21%
Anchorage
21%
Dipole Moment
21%
Scattering Spectroscopy
21%
Absorption Properties
21%
Polymer Matrix
21%
Photoisomerization
21%
Azobenzene Derivatives
21%
E-form
21%
Chloroform
21%
Peripheral Substituents
21%
UV-visible
21%
Nanosize
21%
Second-order Nonlinear Optical Property
21%
First Hyperpolarizability
21%
Stilbenes
14%
Cis-isomer
14%
Frequency Dispersion
14%
Optical Contrast
14%
Third-order Nonlinear Optics
14%
Second Hyperpolarizability
14%
Apolar Solvents
14%
Quantum Chemical Methods
14%
Inconsistency
14%
DFT Method
14%
Experimental Values
14%
IEFPCM
14%
Solvent Effect
14%
Polynomial Expansion
14%
Vibrational Contributions
14%
Comparison Experiment
14%
Chemistry
Hyperpolarizability
100%
Density Functional Theory
81%
Nitroaniline
42%
Azobenzene
42%
Hyper Rayleigh Scattering
42%
Density Functional Theory Study
42%
Trans-Stilbene
42%
Cis-Stilbene
42%
Quantum Chemistry
42%
Møller-Plesset Perturbation Theory
31%
DFT-B3LYP Calculation
28%
Second-Harmonic Generation
21%
Photoisomerization
21%
Ultraviolet Spectrum
21%
Second-Order Nonlinear Optical Property
21%
Scattering Spectroscopy
21%
Dipole Moment
21%
Chloroform
21%
Stilbene
14%
CCSD
14%
Solvation
14%
Solvent Effect
14%
Cis Isomer
14%
Coupled Cluster Singles and Doubles Theory
8%