Physics & Astronomy
diatomic molecules
82%
gradients
43%
functionals
41%
approximation
38%
metals
37%
atoms
37%
ions
34%
dissociation
30%
energy
21%
atomic excitations
21%
dipole moments
13%
transition metals
12%
molecules
11%
valence
10%
triatomic molecules
10%
metal compounds
9%
reference systems
9%
electron affinity
8%
ionization potentials
8%
determinants
7%
anions
6%
cations
6%
symmetry
4%
performance
3%
interactions
2%
Engineering & Materials Science
Atoms
76%
Molecules
72%
Ions
68%
Metals
47%
Excitation energy
35%
Dipole moment
33%
Discrete Fourier transforms
23%
Transition metal compounds
22%
Electron affinity
20%
Ionization potential
18%
Metal complexes
17%
Molecular mechanics
16%
Transition metals
15%
Negative ions
14%
Positive ions
13%
Calcium oxide
12%
Chemical Compounds
Diatomic Molecule
100%
Bond Energy
83%
Metal Atom
71%
Ion
29%
Dipole Moment
27%
Transition Element
21%
Energy
21%
Molecule
20%
Hartree-Fock Method
20%
Ionization Potential
14%
Molecular Mechanic
14%
Radical Anion
14%
Radical Cation
14%
Valence
13%