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