Chemical Compounds
Hyperpolarizability
100%
Polarizability
80%
Polyacetylene Polymer
63%
Electron Correlation
46%
Length
40%
Molecular Dynamics
31%
Oligomer
30%
Random Phase Approximation
27%
Electronic Band Structure
23%
Simulation
23%
Harmonic Oscillator
20%
Energy
20%
Molecule
20%
Zeolite
19%
Bond Length
18%
Electronic State
18%
Polarization
16%
Donor
16%
Dipole
14%
Nonlinear Optical Property
14%
Helicene
14%
Density Matrix
13%
Polyene
13%
Plane Wave
13%
AM1 Calculation
12%
Calculation Method
10%
Vibrational Frequency
10%
Hydrogen
10%
Application
9%
Pair Potential
9%
Coupled Cluster
9%
Band Gap
9%
Squarates
9%
Electron Particle
8%
Coulomb Potential
8%
Self-Diffusion Coefficient
8%
Electronic Property
8%
Lumiflavin
8%
Ab Initio Calculation
8%
Electron Spin Density
7%
Dynamical System
7%
Unrestricted Hartree-Fock Calculation
7%
Muscimol
7%
INDO Calculation
7%
Vibrational Spectrum
7%
Density Functional Theory
7%
Infrared Signal Intensity
7%
Phase Space
7%
Physics & Astronomy
polyacetylene
60%
oligomers
40%
polysilanes
39%
electronics
33%
polymers
33%
approximation
32%
electrons
29%
alternations
27%
cells
27%
zeolites
23%
molecular dynamics
22%
geometry
19%
molecules
18%
electric dipoles
16%
polyethylenes
15%
orbitals
14%
water
14%
hydrogen
13%
simulation
12%
molecular orbitals
12%
harmonics
12%
evaluation
11%
harmonic oscillators
11%
excitation
10%
dimers
10%
energy
9%
optical properties
9%
polarization
9%
rings
9%
quantum chemistry
9%
strip
8%
plane waves
8%
zwitterions
8%
synthesis
8%
harmonic generators
7%
interactions
7%
self consistent fields
7%
vibrational spectra
7%
thiophenes
7%
incentives
7%
formalism
7%
electronic structure
7%
carbon
7%
analogs
7%
torsion
7%
nuclear relaxation
6%
inclusions
6%
dipole moments
6%
coefficients
6%
extrapolation
6%