Engineering & Materials Science
Density functional theory
100%
Acidity
92%
Molecular dynamics
75%
Free energy
53%
Protons
40%
Water
24%
Deprotonation
22%
Protonation
20%
Complexation
18%
Oxygen
18%
Solvation
17%
Hydrogen bonds
15%
Electrostatics
11%
Structural analysis
11%
Molecules
10%
Thermodynamics
9%
Physics & Astronomy
acidity
92%
rutile
70%
density functional theory
51%
molecular dynamics
48%
free energy
36%
water
25%
protons
21%
dissociation
18%
oxygen
13%
estimates
13%
coordination number
12%
affinity
12%
solvation
12%
margins
12%
structural analysis
12%
predictions
11%
insertion
10%
electrostatics
8%
thermodynamics
7%
perturbation
7%
hydrogen
6%
molecules
5%
Chemical Compounds
Rutile
65%
Molecular Dynamics
49%
Density Functional Theory
41%
Gibbs Free Energy
40%
Surface
21%
Dissociation
19%
Proton
17%
Surface Acidity
16%
Acid Dissociation Constant
15%
Proton Affinity
15%
Dioxygen
13%
Deprotonation
12%
Solvation
11%
Complexation
10%
Error
10%
Strength
8%
Thermodynamics
8%
Hydrogen
6%
Solvent
6%
Molecule
4%