Chemical Compounds
Enthalpy of Atomization
100%
Density Functional Theory
70%
Thermochemistry
69%
Error
58%
Energy
32%
Transition State
28%
Tunneling
25%
Transition State Theory
21%
Zero Point Energy
19%
Hypervalence
17%
Wave Function
17%
Ring Expansion
17%
Potential Energy Surface
16%
Ionization Potential
16%
Triflate
15%
Carbene
14%
Bond Energy
13%
Dipole Moment
13%
Binding Energy
13%
Iodine
12%
Orbital
12%
Unrestricted Hartree-Fock Calculation
11%
QCISD(T)
10%
Perturbation Theory
10%
Calculation Method
9%
Electronic State
9%
Chemistry
8%
Energy Barrier
8%
Molecule
8%
Molecular Geometry
8%
Kinetic Isotope Effect
8%
CCSD
8%
Excited Vibrational State
7%
Azide
6%
Deuterium(.)
6%
Ab Initio Calculation
6%
Purity
6%
Ion
5%
Kinetic Energy
5%
Hydrogen
5%
Single Crystal X-Ray Diffraction
5%
Amide
5%
Reaction Path
5%
Butadiene
5%
Force
5%
Reaction Yield
5%
Coupled Cluster Theory
5%
Physics & Astronomy
thermochemistry
63%
density functional theory
62%
kinetics
62%
atomizing
56%
saddle points
42%
geometry
34%
energy
32%
correlation coefficients
26%
electron affinity
25%
coefficients
24%
carbenes
23%
bone mineral content
22%
costs
17%
scaling
17%
functionals
16%
reaction kinetics
13%
dipole moments
13%
chemical reactions
13%
performance
13%
binding energy
12%
sugars
12%
activation
11%
configuration interaction
11%
computer programs
10%
orbitals
10%
rings
10%
expansion
9%
hydrogen
9%
molecules
9%
ionization potentials
9%
products
7%
electronic structure
7%
ions
6%
isotope effect
6%
zero point energy
6%
potential energy
5%
wave functions
5%
butadiene
5%
deuterium
5%
perturbation theory
5%
Engineering & Materials Science
Thermochemistry
48%
Solvation
23%
Reaction rates
22%
Chemical reactions
17%
Compliance
15%
Electrons
14%
Density functional theory
14%
Rate constants
13%
Correlation methods
11%
Containers
11%
Set theory
11%
Quantum theory
10%
Wave functions
10%
Ports and harbors
8%
Availability
8%
Molecular orbitals
8%
Hydrogen
5%
Costs
5%
Gases
5%
Data Sharing
5%
Data privacy
5%