Chemistry
Ab Initio Calculation
17%
Acenaphthylene
12%
Annulene
20%
Aromatic Structure
15%
Cation
35%
Chemical Shift
31%
Chemistry
11%
Configuration Interaction
25%
Crystal Structure
18%
Current Density
100%
Density Functional Theory
78%
DFT-B3LYP Calculation
22%
Diamagnetic
13%
Dielectric Constant
18%
Dimerization
16%
Donor
27%
Double Bond
28%
Electronic Property
26%
Electronic State
50%
Ethylene Glycol
12%
Excited State
31%
Exciton
15%
Frontier Orbital
12%
Fullerene
28%
Ground State
16%
Hartree-Fock Calculation
24%
k·p perturbation theory
12%
Lowest Unoccupied Molecular Orbital
13%
Magnetic Field
17%
Magnetic Property
18%
Molecular Dynamics
12%
Molecular Orbital
20%
Møller-Plesset Perturbation Theory
14%
NMR Spectroscopy
25%
Organic Radical
12%
Photoelectron Spectroscopy
12%
Pi Electron
15%
Polycyclic Aromatic Hydrocarbons
14%
Resonance Energy
36%
Ruthenium
17%
Spin State
22%
Spin Transition
12%
Structure
51%
Terpyridines
28%
Through-Bond Interaction
12%
Time-Dependent Density Functional Theory
12%
Transition State
24%
UV/VIS Spectroscopy
12%
Valence Bond Calculation
22%
Wave Function
13%
Keyphrases
1H nuclear Magnetic Resonance (1H NMR)
9%
Acenaphthylene
6%
All-metal
8%
Annelation
8%
Annulenes
6%
Aromaticity
7%
Aromatics
14%
B3LYP/6-31G
5%
Benzene
10%
Bond Alternation
5%
Carbocycles
5%
Charge Transfer Excitation
8%
Computational Study
6%
Conjugated Circuits
6%
Current Density Maps
13%
Diatropic
5%
Diatropic Ring Current
16%
Dielectric Constant
9%
Double Aromaticity
5%
Electron Counting
5%
Electronic Structure
10%
Ethylene Glycol
7%
Exciton Binding Energy
6%
Flash Vacuum Thermolysis
5%
Fullerene Derivatives
9%
Gold(III)
8%
Induced Current Density
6%
Isoelectronic
5%
Metal Center
8%
Monocycle
12%
Naphthalene
5%
Orbital Analysis
7%
Organic Photovoltaics
5%
Oxidation State
10%
Paratropic
9%
Phenyl
8%
Proton-coupled Electron Transfer
8%
Pyracylene
7%
Pyrene
8%
Reductive Elimination
6%
Resonance Energy
9%
Ring Current
36%
Side Chain
10%
Valence Bond
17%
