Physics & Astronomy
density functional theory
79%
nanoclusters
78%
gold
73%
isomers
66%
chirality
66%
grids
57%
virial theorem
53%
atoms
46%
energy
42%
butyric acid
40%
kinetic energy
37%
quantum theory
36%
esters
35%
molecules
35%
stress tensors
34%
phenyls
34%
numerical integration
32%
dimers
28%
electronics
26%
formalism
25%
oligomers
24%
disorders
24%
defects
17%
self consistent fields
15%
central processing units
15%
thiols
15%
performance
13%
carbon nanotubes
13%
elimination
12%
symmetry
11%
blue shift
11%
fullerenes
10%
atomic interactions
10%
substitutes
9%
covalent bonds
9%
nuclear energy
8%
tensors
8%
ambiguity
8%
trends
8%
embedding
8%
field theory (physics)
7%
electrons
7%
functionals
7%
electron affinity
7%
ionization potentials
6%
methodology
6%
reactivity
6%
anions
5%
optimization
5%
transmission electron microscopy
5%
Chemistry
Quantum Theory
100%
Atomic Property
96%
Virial Theorem
70%
Density Functional Theory
45%
Kinetic Energy
45%
Energy
44%
Molecule
43%
Exchange-Correlation Potential
41%
Cubic Crystal
34%
Electron Particle
33%
Chirality
29%
Electron Density
28%
Methyl Ester
27%
Electronic Property
25%
Carbon Nanotube
25%
Elimination Reaction
24%
Calculation Algorithm
23%
Quadrupole Moment
22%
Molecular Geometry
17%
Oligomer
16%
Partition
15%
Molecular Cluster
15%
Dipole Moment
14%
Fullerene
13%
Electrophilic Substitution
12%
Compound Isomer
12%
Flexibility
12%
Ground State
12%
Carbocation
12%
Organic Reaction
12%
Carbanion
11%
Time
11%
Acid
10%
Nucleophilic Substitution
10%
Van Der Waals Force
10%
Ionization Potential
10%
Absorption Maxima
10%
Surface
9%
Weight
8%
Covalent Bond
7%
Anion
6%
Cation
6%
Error
5%
Mathematics
Density Functional Theory
45%
Quantum Theory
44%
Cubature
43%
Molecules
42%
Scalar Field
37%
Electron
32%
Grid
25%
Computing
23%
Energy Functional
22%
Topology
22%
Molecular Mechanics
18%
Multidimensional Integration
17%
Zero
15%
Sparse Grids
14%
Cubature Formula
13%
Force Field
13%
Unit cube
12%
Energy
11%
Conditional Distribution
10%
One Dimension
10%
Three-dimension
9%
Linearly
9%
Two Dimensions
9%
Evaluate
8%
Methodology
7%
Dipole
7%
Interaction
7%
Three-dimensional
7%
kernel
7%
Subset
7%
Path
6%
Charge
6%
Drug Design
6%
Fast Algorithm
6%
Quadrature
6%
Performance
6%
Carbon Nanotubes
5%
Vectorization
5%
Newton-Raphson Algorithm
5%
Attractor
5%
Biochemistry
5%
Arbitrary
5%
Fullerenes
5%