Keyphrases
Density Functional Tight Binding
100%
Zhang-Zhang Polynomial
93%
Benzenoid
77%
Self-consistent Charge Density Functional Tight Binding
64%
ZZ Polynomials
45%
Multireference Perturbation Theory
38%
Raman Spectra
36%
Excited States
35%
Clar Cover
34%
Infrared Spectra
31%
Zigzag Chain
31%
Vibrational Spectra
31%
Wave Function
30%
Intruder States
28%
Criegee Intermediates
28%
Molecular Properties
25%
Vibrational Frequencies
24%
Fullerene
24%
Harmonic Vibrational Frequencies
24%
Benzene
23%
Benzenoid System
22%
Vibrational Properties
22%
Polynomial Degree
22%
Strict Order
22%
Poset
22%
Perturbation Theory
21%
Quantum Chemistry
20%
Raman Intensity
20%
Infrared Absorption
19%
Schrödinger Equation
19%
Multireference
18%
Parallelogram
18%
Clar Covering Polynomials
18%
Benzenoid Structure
17%
Interface Theory
17%
Potential Energy Curves
17%
Power Potential
17%
Excitation Energy
15%
Quantum Chemical Calculations
15%
Graphene Flakes
15%
Popular
14%
Nanotubes
14%
Molecular Systems
14%
Raman Spectroscopy
14%
Electronic Structure
14%
Density Functional Theory
13%
Raman Bands
13%
Parametrization
13%
Intensity Calibration
13%
Carbon Nanostructures
13%
Chemistry
Charge Density
67%
Tight-Binding Method
66%
Perturbation Theory
57%
k·p perturbation theory
57%
Excited State
46%
Ground State
44%
Infrared Radiation
42%
Vibrational Frequency
34%
Raman Spectra
32%
Vibrational Spectra
28%
Benzene
28%
electronics
26%
Wavenumber
23%
Electronic State
21%
Density Functional Theory
20%
Molecular Property
19%
Potential Energy
19%
Raman Intensity
19%
dimer
19%
Quantum Chemical Calculations
17%
Wave Function
17%
Conformational Isomer
15%
formation
14%
Photolysis
14%
Graphene
14%
Fullerene
14%
stability
13%
Hydrogen
13%
Polarizability
13%
Density of State
12%
Purity
12%
Fourier Transform
11%
Repulsive Potential
11%
Drug Binding Parameter
11%
Quadrupole Moment
11%
Methanol
11%
Fourier Transform Microwave Spectroscopy
11%
Spectra
11%
Transition Metal
11%
Stress Corrosion Cracking
11%
Absorption Spectra
11%
Electron Transport
11%
DFT-B3LYP Calculation
10%
Carbon Atom
10%
Nanotube
10%
CCSD
10%
Multireference Configuration Interaction
10%
Raman Spectroscopy
10%
Raman Spectrometry
10%
Electronic Band Structure
9%
