INIS
chains
100%
polarizability
58%
polymers
51%
hartree-fock method
43%
levels
37%
hydrogen
34%
polyacetylenes
31%
values
27%
molecules
25%
units
24%
polyethylenes
24%
approximations
24%
electron correlation
23%
geometry
21%
applications
20%
investigations
20%
length
20%
comparative evaluations
20%
nonlinear problems
19%
molecular dynamics method
18%
electronic structure
16%
range
14%
energy
14%
simulation
13%
size
13%
atoms
13%
optical properties
12%
electrons
12%
space
12%
zeolites
11%
water
11%
molecular orbital method
11%
density of states
11%
polyenes
10%
harmonics
9%
bond lengths
9%
corrections
9%
asymptotic solutions
8%
long-range interactions
8%
valence
8%
calculation methods
8%
spectra
8%
random phase approximation
8%
asymmetry
8%
interactions
8%
density
7%
increasing
7%
polarization
7%
relaxation
7%
dynamics
7%
Chemistry
Polarizability
54%
Hyperpolarizability
42%
Polyacetylene Polymer
29%
Molecular Dynamics
23%
Electronic State
21%
Electron Correlation
20%
Oligomer
15%
Hydrogen
15%
Hartree-Fock Calculation
12%
X-Ray Photoelectron Spectroscopy
12%
Hydrogen Atom
11%
Density of State
11%
Ab Initio Calculation
11%
Electronic Band Structure
9%
Donor
9%
Band Structure Calculations
8%
Structure
8%
Møller-Plesset Perturbation Theory
7%
Bond Length
7%
Stereoregular Polymer
7%
Polyene
7%
Density Matrix
7%
Fourier Transform
7%
Band Gap
6%
Self-Diffusion Coefficient
6%
Vibrational Frequency
6%
Polymer Chain
5%
Molecular Orbital
5%
Helicene
5%
Gaussian Distribution
5%
Random Phase Approximation
5%
AM1 Calculation
5%
Keyphrases
Polyacetylene
8%
Polyethylene
7%
Polarizability
5%
Second Hyperpolarizability
5%
Electron Correlation
5%
