Chemistry
Ab Initio Calculation
11%
Acetone
7%
Angular Momentum
8%
Anharmonicity Constant
9%
Arene
6%
Benzene
8%
Binding Energy
13%
Bond Length
7%
Boron Atom
9%
Calculation Method
15%
Carbon Atom
8%
Cation
7%
CCSD
100%
Composite Material
8%
Compound Isomer
11%
Conformational Isomer
8%
Coupled Cluster
52%
Coupled Cluster Theory
16%
Density Functional Theory
45%
Dissociation
16%
Electron Correlation
12%
Electron Correlation Energy
8%
Electron Spin
8%
Electronic State
8%
Energy
38%
Enthalpy of Atomization
67%
Enthalpy of Formation
34%
Error
37%
Force
29%
Ground State
18%
Hydride
11%
Ligand
14%
Metal
9%
Molecular Cluster
17%
Molecule
24%
Orbital
22%
Partition Function
10%
Perturbation Theory
19%
Polarization
15%
Proton Affinity
12%
Reaction Yield
9%
Resonance
9%
Thermochemistry
55%
Transition State
7%
Valence
14%
Vibrational Frequency
17%
Vibrational Spectrum
10%
Wave Function
7%
Zero Point Energy
8%
Zero-Point Vibrational Energy
7%
Physics & Astronomy
approximation
10%
atomizing
48%
atoms
8%
benzene
9%
binding energy
9%
boron
9%
carbon
10%
cations
9%
composite materials
9%
configuration interaction
8%
costs
11%
density functional theory
21%
deviation
8%
dissociation
12%
electron affinity
7%
electrons
7%
energy
31%
estimates
11%
excitation
10%
extrapolation
20%
field theory (physics)
40%
functionals
49%
geometry
21%
ground state
13%
halogens
9%
harmonics
25%
heat of formation
39%
hydrides
8%
inclusions
7%
infrared spectra
12%
interactions
8%
isomers
14%
kinetics
8%
ligands
10%
molecules
28%
orbitals
16%
performance
21%
perturbation theory
9%
polarization
7%
relativistic effects
11%
rings
9%
scalars
7%
self consistent fields
13%
thermochemical properties
6%
thermochemistry
62%
valence
15%
vapor phases
7%
vibration
7%
vibrational spectra
11%
zero point energy
6%
Engineering & Materials Science
Acetone
8%
Aromatic compounds
5%
Atomization
15%
Atoms
14%
Benzene
7%
Boron
7%
Carbon
7%
Carbon clusters
5%
Chemical activation
12%
Crystal structure
9%
Density functional theory
44%
Dimers
7%
Discrete Fourier transforms
37%
Electron correlations
6%
Electronic structure
7%
Electrons
11%
Extrapolation
11%
Geometry
12%
Ground state
8%
Hot Temperature
7%
Hydrogen
5%
Hydrogen bonds
11%
Infrared radiation
6%
Isomers
13%
Ligands
24%
Metals
11%
Molecules
19%
Paraffins
6%
Platinum
5%
Polyoxometalates
6%
Positive ions
9%
Protons
7%
Pyridine
12%
Rhodium
16%
Set theory
13%
Thermochemistry
33%
Transition metals
11%
Vibrational spectra
16%
Wave functions
12%
