Keyphrases
Density Functional Theory
100%
Density Functional
100%
Interaction Energy
100%
Biological Significance
100%
Noncovalent Interactions
100%
M05-2X
100%
Correlation Function
66%
Exchange Functional
66%
Hydrogen Bonds (H-bonds)
66%
Biological Systems
33%
Performance Improvement
33%
Benchmark Dataset
33%
Soft Materials
33%
Local Spin Density Approximation
33%
Correlation Effects
33%
Exchange-correlation Functionals
33%
Kinetic Energy Density
33%
B3LYP
33%
Range Correlation
33%
Wavefunction Methods
33%
Noncovalent Complexes
33%
Hydrogen Dispersion
33%
Popular
33%
Engineering
Functionals
100%
Interaction Energy
100%
Good Performance
50%
Soft Material
50%
Biological System
50%
Kinetic Energy Density
50%
Local Spin Density Approximation
50%
Chemistry
Density Functional Theory
100%
Hydrogen Bonding
66%
DFT-B3LYP Calculation
33%
Kinetic Energy
33%
Material Science
Density
100%
Hydrogen Bonding
33%
Energy Density
16%