Chemical Compounds
Multipole
100%
Force
70%
Simulation
39%
Molecular Mechanic
35%
Gibbs Free Energy
29%
Energy
27%
Molecular Dynamics
26%
Dipole
23%
Protein
17%
Perturbation Theory
15%
Error
13%
Polarizability
12%
Multipole Moment
11%
Solvation
11%
Potential Energy Surface
10%
Sampling
9%
Inositol
9%
Protein Structure
8%
Solute
8%
Molecule
8%
Hygrolidin
8%
Electron Density
8%
Polyphosphate
7%
Application
7%
Crystal Structure
7%
Self-Diffusion
7%
Organic Molecule
7%
Charge Density
6%
Liquid
6%
Stereochemistry
6%
Molecular Cluster
6%
Gas
6%
Ab Initio Calculation
6%
Quadrupole
6%
Peptide
6%
Thermodynamics
5%
Bond Model
5%
Potential Energy
5%
Trimethyl Phosphate
5%
Interfacial Energy
5%
Cucurbit[8]uril
5%
Thromboxane A2
5%
Hydrogen Bond
5%
Ion
5%
Electrostatic Potential
5%
Torsion
5%
Retinol
5%
Engineering & Materials Science
Free energy
32%
Molecular mechanics
29%
Molecular dynamics
28%
Electrostatics
27%
Polarization
19%
Water
17%
Solvation
17%
Molecules
14%
Ions
13%
Proteins
12%
Potential energy surfaces
12%
Conformations
10%
Atoms
9%
Computer simulation
8%
Peptides
7%
Nucleic acids
6%
Gases
6%
Supercomputers
6%
Thermodynamics
5%
Liquids
5%
Nuclear magnetic resonance
5%
Phosphates
5%
Torsional stress
5%
Carrier concentration
5%
RNA
5%
Graphics processing unit
5%
Dimers
5%
Message passing
5%
Physics & Astronomy
field theory (physics)
60%
multipoles
55%
electrostatics
19%
polarization
17%
water
16%
free energy
15%
simulation
11%
molecules
11%
dipoles
9%
molecular dynamics
9%
proteins
8%
solutes
8%
energy
8%
vapor phases
8%
potential energy
6%
solvation
6%
continuums
6%
nucleic acids
6%
moments
5%
software development tools
5%
optimization
5%
interactions
5%
