INIS
nonlinear problems
79%
molecules
51%
optical properties
32%
shells
30%
chains
27%
density functional method
25%
simulation
25%
levels
24%
values
23%
polarizability
19%
electrons
18%
atoms
17%
geometry
17%
size
17%
rings
17%
solutions
15%
correlations
15%
charges
15%
dynamics
15%
field theories
15%
polymers
13%
design
13%
molecular dynamics method
13%
spin
12%
comparative evaluations
12%
interactions
12%
approximations
12%
metals
12%
range
12%
bond lengths
11%
potentials
11%
variations
11%
symmetry
11%
distance
11%
investigations
11%
evaluation
11%
surfaces
10%
modeling
10%
dispersions
10%
ions
10%
switches
10%
crystals
10%
charge density
10%
electrostatics
9%
excited states
9%
organic solar cells
9%
origin
9%
functionals
9%
molecular crystals
9%
organometallic compounds
9%
water
9%
electron correlation
9%
spectra
9%
asymmetry
9%
transition metals
9%
layers
8%
units
8%
monomers
8%
interfaces
8%
nonlinear optics
8%
carbon tetrachloride
8%
tunneling
8%
receptors
8%
polymerization
8%
copolymers
8%
one-dimensional calculations
8%
proline
8%
monte carlo method
8%
orientation
8%
energy
7%
polarization
7%
excitation
7%
performance
7%
flexibility
7%
hartree-fock method
7%
chemistry
7%
amplitudes
6%
aromatics
6%
dna
6%
defects
6%
absorption spectra
6%
fluorescence
6%
zinc
6%
ligands
6%
quantum mechanics
6%
electric fields
6%
catalysts
6%
solvation
6%
electron density
6%
concentration
6%
proteins
6%
solvents
6%
dipole moments
6%
configuration
5%
applications
5%
space
5%
cations
5%
symmetry groups
5%
carbon
5%
tensors
5%
configuration interaction
5%
hydrogen
5%
conversion
5%
corrections
5%
tools
5%
devices
5%
efficiency
5%
electronic structure
5%
precursor
5%
computerized simulation
5%
solar cells
5%
accuracy
5%
Chemistry
Hyperpolarizability
100%
Density Functional Theory
33%
Polarizability
23%
Excited State
20%
Third-Order Nonlinear Optical Property
19%
Field Theory
19%
Bond Length
17%
Second-Order Nonlinear Optical Property
17%
Second-Order Nonlinear Optical Susceptibility
15%
Charge Density
15%
Molecular Property
14%
Structure
13%
Molecular Crystal
13%
Transition Element
12%
Quantum Chemistry
11%
First Principle
11%
Crystal Structure
10%
Dipole Moment
10%
Metal Organic Framework
10%
Cation
10%
Vibrational Frequency
9%
Second-Harmonic Generation
9%
Gibbs Free Energy
9%
Nonlinear Optical Property
9%
Hyper Rayleigh Scattering
9%
Donor
9%
Sum-Frequency Generation
8%
Carbon Tetrachloride
8%
Coupled Cluster
8%
Ruthenium
8%
4-Nitroaniline
8%
Proline
8%
Optical Rotation
8%
Ground State
7%
Coupled Cluster Methods
7%
Electron Correlation
7%
Electronic Band Structure
7%
Absorption Spectrum
7%
Optical Property
7%
Refractive Index
7%
Monomer
7%
Solvent Effect
6%
DFT-B3LYP Calculation
6%
Solvation
6%
CCSD
6%
Electric Field
6%
Restricted open-shell Hartree-Fock calculation
6%
Electron Density
6%
Hydrogen
6%
Aldol Reaction
5%
Metal Ion
5%
Molecular Orientation
5%
Electronic State
5%
Coupled Cluster Singles and Doubles Theory
5%
Configuration Interaction
5%