INIS
accuracy
12%
approximations
33%
benchmarks
12%
chains
58%
comparative evaluations
29%
configuration
29%
constraints
12%
coordinates
25%
correlations
8%
data
12%
density functional method
25%
dipole moments
25%
dipoles
12%
freezing
12%
geometry
8%
images
37%
interfaces
37%
layers
62%
levels
33%
mechanics
8%
molecular orbital method
8%
molecular structure
50%
nonlinear problems
50%
optical properties
8%
orientation
25%
origin
8%
peaks
8%
polarizability
37%
polarization
8%
probes
12%
refractive index
8%
rotation
20%
silanes
8%
silica
50%
simulation
50%
spectra
45%
spectroscopy
50%
surfaces
50%
symmetry
12%
units
12%
variations
25%
Chemistry
Coupled Cluster
50%
Coupled Cluster Singles and Doubles Theory
20%
Density Functional Theory
20%
DFT-B3LYP Calculation
10%
Dipole Moment
20%
First Principle
50%
Infrared Signal Intensity
10%
Infrared Spectroscopy
50%
Methyl Group
20%
Molecular Mechanic
10%
Molecular Orientation
10%
Molecular Property
20%
Molecular Structure
50%
Monolayer
10%
Normal Modes
10%
Optical Property
10%
Point Group C3v
10%
Polarizability
30%
Raman Intensity
10%
Refractive Index
10%
Silane
10%
Silicon Dioxide
50%
Stretching Vibration
10%
Sum-Frequency Generation
100%
Vibrational Frequency
10%