Chemistry
Ab Initio Calculation
16%
AM1 Calculation
12%
Application
26%
Band Structure Calculations
18%
Base
62%
Bond Length
13%
Carbon Dioxide
13%
Concentration
53%
Density
17%
Density Functional Theory
12%
Density Matrix
13%
Density of State
13%
Donor
22%
Electron Correlation
40%
Electron Particle
34%
Electronic Band Structure
26%
Electronic Property
19%
Electronic State
33%
Energy
42%
Ethylene
14%
Group
13%
Hartree-Fock Calculation
19%
Hydrogen
24%
Hyperpolarizability
98%
Length
49%
Molecular Dynamics
45%
Molecule
32%
Møller-Plesset Perturbation Theory
19%
Oligomer
34%
Particle Size
24%
Polarizability
94%
Polarization
11%
Polyacetylene Polymer
43%
Polyene
21%
Polymer
100%
Procedure
57%
Random Phase Approximation
11%
Second Order
25%
Self-Diffusion Coefficient
14%
Spectra
12%
Stereoregular Polymer
26%
Structure
33%
Symmetry
11%
Synthesis (Chemical)
13%
Time
15%
Time-Dependent Density Functional Theory
13%
Vibrational Frequency
14%
Water Type
32%
X-Ray Photoelectron Spectroscopy
19%
Zeolite
26%
Physics
Approximation
22%
Calculation
42%
Correction
13%
Correlation
6%
Coulomb Potential
6%
Electron Spin
6%
Electronic Structure
6%
Electrons
15%
Harmonics
19%
Hydrogen
9%
Inclusions
5%
Molecular Dynamics
6%
Molecules
7%
Monte Carlo
8%
Optical Properties
6%
Periodic Variation
6%
Polyacetylene
26%
Polyethylene
6%
Ratios
9%
Responses
9%
Second Harmonic Generation
6%
Shapes
5%
Statics
32%
Symmetry
9%
Terms
13%
Thin Films
6%
Utilization
6%
Value
17%
Water
13%