Keyphrases
Potential Energy Surface
73%
Aromaticity
71%
Global Minimum
59%
Aromatics
55%
Fukui Function
43%
Planar Tetracoordinate Carbon
36%
Topological Data Analysis
32%
Induced Magnetic Field
27%
Electron Localization Function
26%
Chemical Bonding
26%
Lithium
26%
Ring Current
24%
Chemical Bonding Analysis
23%
Genetic Algorithm
22%
Nucleus-independent Chemical Shift
21%
Global Minimum Structure
19%
Quantitative Structure-activity Relationship
18%
Orbital Localization
17%
Boron
17%
Benzene
16%
Magnetically Induced Current Density
15%
Carbon Ring
15%
Relativistic Effects
15%
Aromatic Hydrocarbons
13%
Isoelectronic Substitution
13%
Minimum Energy Structure
13%
Diatropic
13%
Molecular Dynamics Simulation
12%
Silicon Clusters
12%
Quercetin
12%
Antiaromaticity
12%
Isoelectronic
11%
Localization Criterion
11%
Theoretical Design
11%
Dual Descriptor
11%
Magnetic Criteria
11%
Bonding Mode
11%
Fukui
10%
Binding Site
10%
Current Strength
10%
Antioxidant Activity
10%
Aromatic Character
10%
Electron Delocalization
10%
Energy Decomposition Analysis
10%
Comparative Molecular Similarity Indices Analysis (CoMSIA)
10%
Carbon Atom
10%
Proton
9%
Ring-like Structures
9%
Small Clusters
9%
Localization Technique
9%
Chemistry
Potential Energy Surface
100%
Chemical Bonding
62%
Magnetic Field
37%
Current Density
33%
Structure
32%
Lithium
29%
Electron Localization
24%
Density Functional Theory
22%
Chemical Shift
21%
Silicon
20%
Arene
17%
Cation
17%
Antioxidant Capacity
15%
Alkaline Earth Metal
15%
Heterocyclic Compound
14%
Electron Delocalization
14%
Electrostatic Interaction
14%
Hydrogen
14%
Cyclopentadienyl
13%
Point Group D5h
12%
Molecular Cluster
12%
Antiaromaticity
12%
Molecular Dynamics
12%
Carbon Atom
12%
Pyrazole
11%
Electronic State
11%
Covalent Bond
10%
Ionization Potential
9%
Electron Transfer
9%
Electron Transport
9%
Chemical Potential
9%
Beryllium
9%
Borazine
9%
Silicon Atom
8%
Electron Density
8%
Isomerization
8%
Imine
8%
Graphene
7%
Quercetin
7%
Alkali Metal
7%
1,3-cycloaddition
7%
Electronic Property
7%
Magnetic Property
7%
Spin State
7%
Molecular Orbital
7%
Cysteine
7%
Lithium Atom
7%
Chemical Bond
7%
Nitrile
7%
Binding Site
7%