Predicting density functional theory total energies and enthalpies of formation of metal-nonmetal compounds by linear regression

Engineering & Materials Science

• Atoms 32%
• Availability 11%
• Chemical analysis 10%
• Crystal structure 19%
• Density functional theory 92%
• Electron affinity 30%
• Electronegativity 27%
• Enthalpy 63%
• Gases 8%
• Ground state 23%
• Ionization potential 27%
• Iron 14%
• Linear regression 62%
• Materials science 19%
• Metals 39%
• Molecules 15%
• Nonmetals 100%
• Physics 13%
• Quantum chemistry 24%
• Solid state physics 28%

Physics & Astronomy

• atoms 12%
• availability 12%
• crystal structure 9%
• density functional theory 47%
• electron affinity 14%
• energy 18%
• enthalpy 55%
• ground state 8%
• ionization 8%
• iron 8%
• materials science 13%
• metal compounds 83%
• molecules 6%
• physics 7%
• probes 7%
• quantum chemistry 15%
• regression analysis 63%
• solid state physics 16%
• trends 9%
• vapor phases 9%

Chemical Compounds

• Calorific Value 22%
• Chemical Element 15%
• Crystal Phase Property 21%
• Crystal Structure 10%
• Density Functional Theory 38%
• Electronegativity 22%
• Energy 29%
• Enthalpy of Formation 59%
• Error 15%
• Gas 10%
• Ground State 16%
• Ionization Potential 20%
• Molecule 7%
• Polarizability 21%
• Probe 12%
• Quantum Chemistry 22%