Keyphrases
Generalized Gradient Approximation
100%
3d Transition Metal
100%
Exchange-correlation Functionals
100%
Mean Bond Energy
100%
Functional Approximation
100%
Non-separable
83%
Gradient Approximation
83%
Multireference
50%
Range-separated Hybrid
50%
Electronic Energy
33%
Hartree-Fock Exchange
33%
Single Reference
33%
Stable Solutions
33%
Global Hybrid
33%
Dispersion-corrected Density Functional Theory (DFT-D)
33%
Multiconfigurational
16%
Density Functional Theory
16%
Density Functional
16%
Metal Oxide
16%
Late Transition Metal
16%
Metal-containing
16%
Atomization Energy
16%
Bond Type
16%
Local Spin Density Approximation
16%
Approximate Calculation
16%
Experimental Uncertainty
16%
Parametrized
16%
Local Functionals
16%
Kinetic Energy Density
16%
Molecular Mechanics
16%
Enthalpy of Formation
16%
Wavefunction Theory
16%
Heat of Formation
16%
Vibrational Energy
16%
Hartree-Fock Method
16%
Exchange-correlation
16%
Reference Molecule
16%
Early Transition Metal
16%
Metal Compounds
16%
CrO3
16%
DFT-D3
16%
Spatial Symmetry
16%
BJ Model
16%
Hartree-Fock Wave Function
16%
Metal Hydride
16%
Chemistry
Bond Energy
100%
Generalized Gradient Approximation
100%
Transition Metal
100%
Density Functional Theory
83%
Enthalpy of Formation
33%
electronics
33%
Metal Oxide
16%
Enthalpy of Atomization
16%
Vibrational Energy
16%
Wave Function Theory
16%
Hartree-Fock Method
16%
Metal Hydride
16%
Molecular Mechanic
16%
Wave Function
16%
Kinetic Energy
16%
Physics
Transition Metal
100%
Generalized Gradient Approximation
100%
Density Functional Theory
83%
Wave Function
33%
Enthalpy
16%
Metal Hydride
16%
Flux Density
16%
Atomizing
16%
Heat of Formation
16%
Kinetic Energy
16%
Material Science
Transition Metal
100%
Density
60%
Metal Hydride
20%
Metal Oxide
20%
Energy Density
20%
Electronic Test
20%