A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

Keyphrases

• Thermochemistry 100%
• Noncovalent Interactions 100%
• Kinetic Interaction 100%
• Thermochemical Kinetics 100%
• Local Density Functional 100%
• Transition Metal Bonding 100%
• Spin Density 66%
• M06-L Functional 66%
• Transition Metal Chemistry 33%
• Transition Elements 33%
• Main Group Elements 33%
• Large Systems 33%
• Main Group Chemistry 33%
• Density Gradient 33%
• Vibrational Frequencies 33%
• Parametrized 33%
• Local Functionals 33%
• Kinetic Energy Density 33%
• Exchange Energy 33%
• B3LYP Functional 33%
• Biological Interactions 33%
• Uniform Electron Gas 33%
• Gas Limit 33%
• Spin Kinetics 33%
• BP86 33%
• Local Spin 33%
• Popular 33%

Chemistry

• Thermochemistry 100%
• Transition Metal 100%
• Chemistry 33%
• Metallocene 33%
• Energetics 33%
• Main Group Element 33%
• Main Group Chemistry 33%
• DFT-B3LYP Calculation 33%
• Vibrational Frequency 33%
• Kinetic Energy 33%
• Exchange Correlation Energy 33%
• Electron Gas 33%

Material Science

• Density 100%
• Transition Metal 100%
• Energy Density 25%