A parameter-free density functional that works for noncovalent interactions

Keyphrases

• Parameter-free 100%
• Noncovalent Interactions 100%
• Random Phase Approximation 100%
• Density Functional 100%
• Order of Magnitude 33%
• Popular 33%
• Molecular Interactions 33%
• Semilocal 33%
• Weak Interactions 33%
• Relative Energy 33%
• B3LYP 33%
• Parametrized 33%
• Reaction Energy 33%
• Isomerization Reaction 33%
• Density Functional Theory 33%
• Semilocal Functional 33%
• Biological Significance 33%
• B2PLYP 33%
• Non-covalent 33%
• Predissociation 33%
• Computational Chemistry 33%
• Alkane Isomers 33%
• Benchmark Dataset 33%
• Approximation Results 33%
• Grubbs Catalyst 33%
• Ruthenium 33%
• Bulky Ligands 33%
• M06-2X 33%
• Homodesmotic Reactions 33%

Chemistry

• Random Phase Approximation 100%
• Density Functional Theory 33%
• DFT-B3LYP Calculation 33%
• Computational Chemistry 33%
• Ruthenium 33%
• Predissociation 33%
• dimer 33%
• Alkane 33%
• Isomerization 33%

Material Science

• Density 100%
• Ruthenium 50%