Chemical Compounds
Hybrid Orbital
100%
Density Functional Theory
41%
Charge Density
25%
Gaussian Type Orbital
21%
Torsional Barrier
20%
Internal Rotation
16%
Electron Correlation
15%
Proton Affinity
15%
Quantum Mechanics
15%
Dipeptide
13%
Molecular Mechanic
13%
Ethane
12%
Electron Density
12%
Hydrogen Atom
11%
Thiol
11%
Orbital
11%
Force
9%
Amine
8%
Chemical Transformation
8%
Alcohol
8%
Energy
6%
Acid
4%
Molecule
4%
Physics & Astronomy
density functional theory
51%
orbitals
47%
gradients
10%
alanine
7%
thiols
7%
butanes
6%
ethane
6%
amines
6%
geometry
6%
affinity
6%
alcohols
5%
hydrogen atoms
5%
quantum mechanics
5%
acids
4%
electrons
4%
formalism
4%
scaling
3%
protons
3%
molecules
2%
approximation
2%
energy
1%