Chemical Compounds
Polysaccharide
100%
Density Functional Theory
60%
Wave Function
38%
Coupled Cluster Theory
33%
Superoxide
24%
Multireference Configuration Interaction
24%
Absorption Spectrum
24%
Perturbation Theory
24%
Energy
23%
Density Matrix
22%
Quantum Mechanics
22%
Depolymerization
21%
Hyperfine Coupling
21%
Environment
21%
Biofuel
21%
Spin-Orbit Coupling
20%
Solvent Effect
19%
Molecular Mechanic
19%
Spin State
18%
Permanganate
18%
Quantum Chemistry
18%
Coordination Sphere
16%
Coupled Cluster
15%
Tyrosine
15%
Chemistry
14%
EPR Spectroscopy
14%
Hamiltonian
14%
Solvation
14%
Hydroxyl
13%
Fragmentation
13%
Solvent
13%
Vacuum
13%
Simulation
13%
Hydrogen Peroxide
12%
Electron Particle
12%
Electronic State
12%
Platinum
12%
Compound Isomer
12%
Molecular Structure
11%
Ion
11%
Donor
11%
Oxidation Reaction
10%
UV/VIS Spectroscopy
10%
ESR-hyperfine Coupling Constant
9%
Aqueous Solution
8%
Glutamine Residue
8%
Communication
7%
Time
7%
Hydrogen Atom
7%
Relativistic Calculation
7%
Physics & Astronomy
density functional theory
47%
embedding
36%
permanganates
26%
absorption spectra
24%
relativistic effects
24%
wave functions
20%
complex systems
18%
atomic energy levels
17%
molecular structure
17%
platinum
16%
cancer
15%
aqueous solutions
15%
quantum chemistry
15%
self consistent fields
14%
platforms
14%
electronic structure
12%
engineering
12%
oxidation
12%
chemotherapy
12%
inorganic chemistry
11%
iron
11%
ions
11%
water
10%
vacuum
10%
energy
10%
inclusions
9%
modules
9%
scalars
9%
perturbation theory
8%
quaternions
7%
temperature effects
7%
simulation
7%
approximation
7%
molecular properties
7%
activation
6%
chemistry
6%
solvation
6%
orbits
6%
fragmentation
6%
carboxylates
5%
configuration interaction
5%
life (durability)
5%
algebra
5%