Chemistry
CCSD
100%
Enthalpy of Atomization
67%
Thermochemistry
55%
Coupled Cluster
52%
Density Functional Theory
46%
Energy
39%
Error
37%
Enthalpy of Formation
34%
Force
29%
Molecule
24%
Orbital
22%
Perturbation Theory
19%
Ground State
18%
Molecular Cluster
17%
Vibrational Frequency
17%
Dissociation
16%
Coupled Cluster Theory
16%
Calculation Method
15%
Polarization
15%
Valence
14%
Ligand
14%
Binding Energy
13%
Electron Correlation
12%
Proton Affinity
12%
Ab Initio Calculation
11%
Hydride
11%
Compound Isomer
11%
Partition Function
10%
Vibrational Spectrum
10%
Metal
9%
Resonance
9%
Boron Atom
9%
Reaction Yield
9%
Anharmonicity Constant
9%
Electron Correlation Energy
8%
Electronic State
8%
Angular Momentum
8%
Conformational Isomer
8%
Composite Material
8%
Benzene
8%
Carbon Atom
8%
Electron Spin
8%
Zero Point Energy
8%
Transition State
7%
Zero-Point Vibrational Energy
7%
Wave Function
7%
Cation
7%
Bond Length
7%
Acetone
7%
Arene
6%
Physics & Astronomy
thermochemistry
62%
functionals
49%
atomizing
48%
field theory (physics)
40%
heat of formation
39%
energy
31%
molecules
28%
harmonics
25%
density functional theory
21%
performance
21%
geometry
21%
extrapolation
20%
orbitals
16%
valence
15%
isomers
14%
self consistent fields
13%
ground state
13%
dissociation
12%
infrared spectra
12%
relativistic effects
11%
costs
11%
vibrational spectra
11%
estimates
11%
approximation
10%
carbon
10%
excitation
10%
ligands
10%
rings
9%
boron
9%
binding energy
9%
perturbation theory
9%
cations
9%
benzene
9%
composite materials
9%
halogens
9%
atoms
8%
deviation
8%
hydrides
8%
interactions
8%
kinetics
8%
configuration interaction
8%
vibration
7%
vapor phases
7%
scalars
7%
inclusions
7%
electron affinity
7%
electrons
7%
polarization
7%
zero point energy
6%
thermochemical properties
6%
Engineering & Materials Science
Density functional theory
44%
Discrete Fourier transforms
37%
Thermochemistry
33%
Ligands
24%
Molecules
19%
Vibrational spectra
16%
Rhodium
16%
Atomization
15%
Atoms
14%
Isomers
13%
Set theory
13%
Chemical activation
12%
Pyridine
12%
Wave functions
12%
Geometry
12%
Extrapolation
11%
Transition metals
11%
Hydrogen bonds
11%
Metals
11%
Electrons
11%
Crystal structure
9%
Positive ions
9%
Acetone
8%
Ground state
8%
Dimers
7%
Protons
7%
Hot Temperature
7%
Boron
7%
Benzene
7%
Electronic structure
7%
Carbon
7%
Paraffins
6%
Electron correlations
6%
Infrared radiation
6%
Polyoxometalates
6%
Carbon clusters
5%
Hydrogen
5%
Platinum
5%
Aromatic compounds
5%