Chemical Compounds
2,4,6-trinitrotoluene
60%
2,4-dinitroaniline
15%
2,4-dinitroanisole
79%
Ab Initio Calculation
7%
Alkaline Hydrolysis
10%
Anion
10%
Arene
28%
Carbon Atom
21%
Chemical Transformation
5%
Density Functional Theory
11%
Energy
4%
Gibbs Free Energy
13%
Hydrolysis
28%
Hydroxyl
7%
Meisenheimer Rearrangement
39%
Methanol
5%
Methoxy Group
10%
Methyl Group
7%
Molecular Dynamics
6%
Nucleophilic Aromatic Substitution
33%
Plane Wave
12%
Proton
17%
Simulation
11%
Medicine & Life Sciences
2,4-dinitroaniline
21%
2,4-dinitroanisole
100%
Anions
19%
Carbon
44%
Density Functional Theory
31%
Hydrolysis
42%
hydroxide ion
20%
Hydroxyl Radical
10%
Methanol
9%
Molecular Dynamics Simulation
10%
Protons
27%
Trinitrotoluene
73%
Physics & Astronomy
activation
12%
anions
14%
attachment
7%
attack
8%
carbon
25%
density functional theory
11%
energy
2%
free energy
12%
hydrolysis
51%
methyl alcohol
7%
molecular dynamics
5%
molecular orbitals
7%
organic compounds
9%
plane waves
6%
predictions
24%
protons
14%
simulation
5%
substitutes
17%
trinitrotoluene
60%