Keyphrases
Bond Formation
15%
C-C Bond Formation
16%
Carbenoids
15%
Chemical Reactivity
20%
Conceptual Density Functional Theory
11%
Cycloaddition
17%
Cycloaddition Reaction
54%
Cyclopentadiene
12%
Density Functional Theory
40%
DFT Analysis
10%
DFT Study
15%
Diels-Alder Reaction
28%
Electron Density
16%
Electron Localization Function
24%
Electron-deficient
11%
Electronic Chemical Potential
16%
Electrophile
18%
Electrophilic
49%
Electrophilicity
52%
Electrophilicity Index
20%
ELF Analysis
12%
Ethylene
44%
Fukui Function
17%
Gas Phase
30%
Global Electrophilicity
24%
In(III)
15%
Local Electrophilicity
21%
Molecular Electron Density Theory
52%
Nucleophile
18%
Nucleophilic
43%
Nucleophilicity
31%
Nucleophilicity Index
16%
Organic Chemistry
13%
Organic Reactions
11%
Polar Cycloaddition
13%
Polar Diels-Alder Reaction
17%
Proton Affinity
18%
Reactivity Indices
20%
Regioselectivity
22%
Single Bond
15%
Solution Phase
16%
Solvent Effect
19%
Spin Polarization
12%
Spin-polarized Density Functional Theory
19%
Substituent Effect
16%
Synchronicity
16%
Theory Study
34%
Topological Data Analysis
10%
Transition State
11%
Transition State Structure
13%
Chemistry
1,3-cycloaddition
10%
Alkalinity
10%
Butadiene
6%
C-C Bond Formation
12%
Carbene
13%
Carbon Dioxide
7%
Carbonyl Ylide
7%
Cation
13%
Chemical Potential
22%
Chemical Reactivity
23%
Chemistry
8%
Cyclopentadiene
12%
Density Functional Theory
100%
Density Functional Theory Study
10%
DFT-B3LYP Calculation
14%
Diels-Alder Reaction
44%
Double Bond
8%
Electron Density
70%
Electron Localization
28%
Electronic State
8%
Electrophile
17%
Electrophilicity
77%
Ethylene
43%
Force Constant
6%
Frontier Orbital
8%
Ground State
9%
Higher Order Cycloaddition
7%
Hydrogen Bonding
7%
Ionization Potential
7%
Lewis Acid
10%
Nitrile Ylide
7%
Nucleophile
16%
Nucleophilicity
39%
Organic Chemistry
14%
Organic Molecule
6%
Organic Reaction
8%
Polarizability
9%
Proton Affinity
16%
Proton Transfer
11%
Reaction Activation Energy
15%
Regioselectivity
21%
Response Function
11%
Single Bond
15%
Solvation
13%
Solvent Effect
19%
Spin Polarization
13%
Substituent Effect
15%
Transfer Process
10%
Transition State
12%
Transition State Structure
12%
