Chemistry
Molecular Cluster
100%
Energy
54%
Density Functional Theory
50%
Potential Energy Surface
44%
Gold Atom
26%
Nanoparticle
25%
Ground State
20%
Many-Body Potential
18%
Compound Isomer
14%
Chemical Transformation
14%
Pair Distribution Function
14%
Binding Energy
13%
Silver Atom
13%
Bimetallic Nanoparticle
12%
Electron Correlation
12%
Copper Atom
11%
X-Ray Scattering
11%
Helical Structure
11%
Electrostatic Potential
10%
Purity
10%
Adsorption
10%
Cluster Structure
9%
Structure Factor
8%
Surface Reconstruction
7%
Transition Element
6%
Thermal Stability
6%
Tetrahedral Crystal
6%
Multilayer
6%
Catalyst Property
5%
Sampling
5%
Calorific Value
5%
Physics & Astronomy
atoms
52%
genetic algorithms
32%
structural analysis
31%
density functional theory
29%
energy
27%
nanoparticles
27%
nanoclusters
22%
potential energy
21%
configurations
19%
ground state
16%
vapor phases
16%
adsorption
15%
gold
14%
geometry
14%
radial distribution
14%
optimization
12%
isomers
12%
transition probabilities
10%
metal clusters
9%
distribution functions
8%
symmetry
7%
structural stability
7%
predictions
7%
planar structures
7%
x rays
6%
transition metals
6%
gradients
6%
attack
6%
thresholds
6%
interactions
6%
tetrahedrons
5%
plots
5%
approximation
5%
scattering
5%
thermal stability
5%
Mathematics
Empirical Potential
40%
Nanoparticles
30%
Density Functional Theory
29%
Structural Analysis
25%
Global Minimum
22%
Local Minima
22%
Genetic Algorithm
18%
Energy
18%
Reoptimization
15%
Dependent
15%
Shell
13%
Potential Energy Surface
10%
Configuration
10%
Frequency Analysis
9%
Generalized Gradient
9%
Segregation
8%
Decahedron
7%
Ground State
7%
Electron
6%
Structural Properties
6%
Scattering
6%
Distribution Function
5%
Optimization
5%