INIS
nonlinear problems
100%
molecules
88%
simulation
77%
investigations
65%
atoms
58%
optical properties
55%
density functional method
55%
interactions
54%
graphene
48%
levels
46%
applications
45%
proteins
44%
comparative evaluations
43%
values
43%
layers
43%
fluorescence
42%
molecular dynamics method
40%
shells
40%
energy
39%
electrons
36%
dynamics
35%
surfaces
34%
design
32%
metals
30%
electron density
30%
doped materials
30%
charges
29%
solutions
29%
approximations
29%
switches
28%
absorption
28%
range
28%
crystals
27%
units
26%
chains
26%
geometry
26%
rings
25%
optimization
25%
resonance
25%
excited states
24%
periodicity
23%
nitrogen
23%
polymers
23%
correlations
22%
modeling
22%
size
22%
evaluation
22%
performance
22%
genetic algorithms
22%
spectra
22%
nanostructures
22%
distribution
20%
point charge
20%
water
20%
efficiency
19%
triplets
19%
light emitting diodes
19%
devices
19%
spin
19%
chemistry
19%
polarizability
19%
excitation
18%
symmetry
18%
growth
18%
data
18%
second-harmonic generation
18%
variations
17%
stability
17%
synthesis
17%
tuning
17%
solids
16%
emission
15%
resolution
15%
solvents
15%
rayleigh scattering
14%
dispersions
14%
electrostatics
14%
carbon
14%
hydrogen
14%
orientation
14%
electric fields
14%
configuration
14%
asymmetry
14%
functionals
14%
ligands
13%
topology
13%
ecosystems
13%
hybrids
13%
density
13%
kinetics
13%
absorption spectra
13%
substrates
12%
nanoparticles
12%
tools
12%
control
12%
electronic structure
12%
plasmons
12%
shape
12%
quantum mechanics
12%
communities
12%
proline
12%
distance
11%
enols
11%
defects
11%
concentration
11%
biodiversity
11%
receptors
11%
cations
11%
transition metals
10%
time dependence
10%
boron
10%
space
10%
one-dimensional calculations
10%
peaks
10%
oxides
10%
nonlinear optics
10%
charge density
10%
electron correlation
10%
zeolites
10%
harmonics
10%
particles
9%
dna
9%
maps
9%
optical activity
9%
ions
9%
algorithms
9%
interfaces
9%
solvation
9%
color
9%
planets
9%
accuracy
9%
bond lengths
9%
chirality
9%
junctions
9%
conversion
9%
populations
9%
dielectrics
9%
transport
9%
tensors
9%
aromatics
8%
carbon nanotubes
8%
origin
8%
potentials
8%
computerized simulation
8%
dyes
8%
monte carlo method
8%
amplitudes
8%
spectroscopy
8%
prediction
8%
increasing
8%
hartree-fock method
8%
flexibility
8%
coordinates
8%
randomness
8%
yields
7%
wave functions
7%
wavelengths
7%
modifications
7%
dimers
7%
dipole moments
7%
field theories
7%
gases
7%
distribution functions
7%
organometallic compounds
7%
polarization
7%
molecular structure
7%
information
7%
motion
7%
monomers
7%
solar cells
7%
scattering
7%
protons
7%
reactivity
7%
depolarization
7%
equilibrium
7%
experimental data
7%
liquids
7%
tunneling
6%
scanning tunneling microscopy
6%
energy gap
6%
calculation methods
6%
length
6%
dipoles
6%
reaction mechanisms
6%
radiations
6%
photons
6%
organic solar cells
6%
lipids
6%
additives
6%
copper
6%
environment
6%
catalysts
6%
probes
6%
raman spectra
6%
carbon tetrachloride
6%
boron nitrides
6%
diffusion
6%
crystal structure
6%
thin films
6%
films
6%
Chemistry
Hyperpolarizability
94%
Density Functional Theory
63%
Electron Density
29%
Delayed Fluorescence
27%
Excited State
27%
Structure
26%
Donor
24%
Polarizability
21%
Molecular Dynamics
19%
Hyper Rayleigh Scattering
19%
Second-Order Nonlinear Optical Property
17%
Second-Harmonic Generation
17%
Nonlinear Optical Property
16%
Charge Density
15%
Third-Order Nonlinear Optical Property
15%
Bond Length
15%
Electric Field
13%
Quantum Chemistry
13%
First Principle
12%
Enol
12%
Absorption Spectrum
12%
Graphene
12%
Electronic State
11%
Coupled Cluster
11%
Cation
11%
Transition Element
11%
Optical Property
10%
Chromophore
10%
Electron Correlation
10%
Second-Order Nonlinear Optical Susceptibility
10%
Time-Dependent Density Functional Theory
10%
Field Theory
10%
Molecular Property
9%
Solvation
9%
Distribution Function
9%
Proline
9%
Gibbs Free Energy
9%
Crystal Structure
9%
Ground State
8%
Band Gap
8%
UV/VIS Spectroscopy
8%
DFT-B3LYP Calculation
8%
Sum-Frequency Generation
8%
Oligomer
7%
Intersystem Crossing [Singlet->triplet]
7%
Dipole Moment
7%
Molecular Crystal
7%
Raman Optical Activity
7%
Carbon Tetrachloride
7%
Blue
7%
4-Nitroaniline
7%
Monomer
7%
Quantum Chemical Calculations
6%
Oxazolidine
6%
CCSD
6%
Chloroform
6%
Solvent Effect
6%
Lewis Base
6%
Molecular Structure
5%
Vibrational Frequency
5%
Raman Spectrum
5%
Amino Acid
5%
Metal Organic Framework
5%
X-Ray Diffraction
5%
Photoluminescence
5%
Helicene
5%
Fullerene
5%
Electrostatic Potential
5%
Aldol Reaction
5%
Hydrogen Bonding
5%
Exciton
5%
Møller-Plesset Perturbation Theory
5%
Nanoflake
5%