INIS
nonlinear problems
100%
simulation
81%
molecules
76%
investigations
63%
atoms
58%
graphene
48%
layers
48%
optical properties
47%
interactions
43%
proteins
42%
levels
42%
values
38%
molecular dynamics method
37%
point charge
35%
applications
34%
comparative evaluations
34%
electrons
31%
shells
31%
surfaces
31%
approximations
30%
density functional method
29%
nitrogen
29%
charges
29%
chains
28%
doped materials
28%
optimization
28%
genetic algorithms
28%
geometry
27%
energy
27%
absorption
27%
evaluation
25%
spectra
25%
design
23%
crystals
23%
periodicity
22%
size
22%
nanostructures
22%
dynamics
22%
range
21%
rings
21%
symmetry
20%
polymers
20%
efficiency
20%
switches
20%
polarizability
19%
solutions
19%
modeling
19%
fluorescence
19%
metals
19%
units
18%
solvents
18%
correlations
17%
devices
17%
asymmetry
17%
excited states
17%
electrostatics
17%
proline
17%
rayleigh scattering
17%
water
17%
excitation
16%
charge density
16%
nanoparticles
16%
resonance
16%
defects
15%
dispersions
15%
variations
15%
absorption spectra
15%
junctions
15%
plasmons
15%
quantum mechanics
15%
configuration
15%
electric fields
15%
functionals
14%
potentials
14%
orientation
14%
light emitting diodes
14%
substrates
13%
solvation
13%
gold
13%
electron correlation
13%
performance
13%
distance
13%
field theories
12%
tensors
12%
dielectrics
12%
radiations
11%
cations
11%
carbon
11%
nonlinear optics
11%
electronic structure
11%
conversion
11%
hydrogen
10%
monte carlo method
10%
tunneling
10%
receptors
10%
carbon nanotubes
10%
raman spectra
10%
stacks
10%
carbon tetrachloride
10%
additives
10%
dyes
10%
chirality
10%
ions
10%
growth
10%
particles
10%
length
9%
stability
9%
depolarization
9%
synthesis
9%
distribution
9%
second-harmonic generation
9%
flexibility
9%
scanning tunneling microscopy
9%
shape
9%
monomers
9%
reaction mechanisms
9%
chemistry
9%
concentration
9%
dna
9%
control
9%
hybrids
9%
wavelengths
9%
tuning
9%
tools
9%
extraction
8%
dimers
8%
adsorption
8%
solar cells
8%
dipoles
8%
solids
8%
energy-loss spectroscopy
8%
organic solar cells
8%
time dependence
8%
accuracy
8%
liquids
8%
polymerization
8%
calculation methods
8%
interfaces
8%
incidents
8%
silver
7%
increasing
7%
hartree-fock method
7%
molecular crystals
7%
protons
7%
oxides
7%
copper
7%
enols
7%
images
7%
amino acids
7%
dipole moments
7%
organometallic compounds
7%
zeolites
7%
molecular structure
7%
color
7%
copolymers
7%
equilibrium
7%
assessments
7%
data
7%
computerized simulation
7%
gases
7%
spin
7%
metamaterials
7%
weevils
7%
polycrystals
7%
homogenization methods
7%
asteroids
7%
perylene
7%
dichroism
7%
transport
7%
one-dimensional calculations
7%
carbonates
7%
silicon solar cells
7%
kinetics
7%
modifications
6%
randomness
6%
populations
6%
distribution functions
6%
coordinates
6%
wave functions
6%
catalysts
6%
space
6%
information
6%
polarization
6%
ground states
6%
refractive index
6%
passivation
6%
aromatics
6%
peaks
6%
bond lengths
6%
hybridization
6%
screws
6%
matrices
5%
reliability
5%
silicon
5%
prediction
5%
deposition
5%
electron density
5%
harmonics
5%
amplitudes
5%
photons
5%
Chemistry
Hyperpolarizability
84%
Density Functional Theory
40%
Hyper Rayleigh Scattering
24%
Charge Density
23%
Polarizability
20%
Molecular Dynamics
20%
Second-Order Nonlinear Optical Property
20%
Structure
20%
Excited State
18%
Solvation
16%
Second-Order Nonlinear Optical Susceptibility
16%
Field Theory
15%
Graphene
15%
Absorption Spectrum
15%
Proline
15%
Electronic State
14%
Nonlinear Optical Property
14%
Electron Correlation
13%
Cation
13%
Chromophore
13%
Electric Field
13%
Donor
12%
Molecular Property
12%
Quantum Chemistry
12%
Carbon Tetrachloride
12%
Coupled Cluster
12%
Raman Spectrum
11%
Molecular Crystal
10%
Sum-Frequency Generation
10%
4-Nitroaniline
10%
Oligomer
10%
DFT-B3LYP Calculation
10%
First Principle
10%
Amino Acid
10%
UV/VIS Spectroscopy
10%
Electrostatic Potential
9%
Vibrational Frequency
9%
Dichloromethane
9%
Optical Property
8%
Aldol Reaction
8%
Normal Modes
8%
Distribution Function
8%
Bond Length
8%
Carbon Atom
8%
Ground State
8%
Enol
7%
CCSD
7%
Chloroform
7%
Third-Order Nonlinear Optical Property
7%
Fullerene
7%
Electron Density
7%
Second-Harmonic Generation
7%
Dipole Moment
7%
Nitrogen Atom
7%
Doping Material
7%
Metal Organic Framework
7%
Catalysis
7%
Acene
7%
Perylene
7%
Quantum Mechanics
7%
Enamine
7%
Monomer
7%
Møller-Plesset Perturbation Theory
6%
Acetonitrile
6%
Excited Electronic State
6%
Scanning Tunneling Microscopy
6%
Electronic Band Structure
6%
Helicene
6%
Time-Dependent Density Functional Theory
6%
Gibbs Free Energy
6%
Refractive Index
5%
Alkaline Earth Metal
5%
Crystal Structure
5%
Electronic Property
5%
Polymer Solar Cell
5%
Scanning Tunneling Microscopy
5%
Restricted open-shell Hartree-Fock calculation
5%
Ab Initio Calculation
5%
Keyphrases
Nitrogen-doped Graphene
7%
Fluorescent Chromophores
5%
Hyper-Rayleigh Scattering
5%