Physics & Astronomy
density functional theory
44%
molecules
39%
water
30%
interactions
27%
dimers
27%
atoms
26%
hydrogen bonds
25%
evaluation
24%
softness
23%
amino acids
20%
benzene
19%
embedding
18%
energy
18%
dipoles
17%
ground state
15%
geometry
14%
multipoles
14%
sulfonic acid
13%
occupation
12%
methane
12%
energy methods
11%
covalent bonds
11%
metal clusters
10%
kinetic energy
10%
oligomers
10%
electrons
10%
damping
9%
liquids
9%
hydration
9%
methyl alcohol
9%
isomers
8%
scaling
8%
baths
8%
emerging
8%
quadrupoles
7%
gradients
7%
dipole moments
7%
flux density
7%
electronics
6%
functionals
6%
electronic structure
6%
relocation
6%
orbitals
6%
quantum theory
6%
nuclear potential
6%
anisotropy
5%
vacuum
5%
formulations
5%
tensors
5%
nitrogen atoms
5%
Chemical Compounds
Polarizability
100%
Molecular Cluster
46%
Energy
33%
Multipole
30%
Density Functional Theory
29%
Electron Correlation Energy
24%
Molecule
22%
Ground State
22%
Kinetic Energy
20%
Electron Density
19%
Electron Liquid
16%
Density Matrix
15%
Hydrogen Bond
15%
Electron Spin
14%
Nuclear Charge
14%
Benzene
12%
Methanesulfonic Acid
11%
Simulation
9%
Dipole Moment
9%
Electrostatic Potential
9%
Potential Energy
9%
Van Der Waals Force
9%
Quantum Mechanical Phenomenon
8%
Sulfone
8%
Cysteine
7%
Electronic State
7%
Application
7%
Orbital
7%
Molecular Crystal
7%
Force
7%
Oligomer
7%
Excited State
7%
Vacuum
7%
Ion
7%
Error
6%
Molecular Dynamics
6%
Acid
6%
Compound Isomer
6%
Atomic Number
5%
Covalent Bond
5%
Methanol
5%
Electronegativity
5%