Exploring the limit of accuracy of the global hybrid meta density functional for main-group thermochemistry, kinetics, and noncovalent interactions

Engineering & Materials Science

• Thermochemistry 100%
• Molecules 59%
• Atomization 52%
• Bond length 45%
• Isomerization 44%
• Electron affinity 29%
• Ionization potential 27%
• Excitation energy 25%
• Complexation 25%
• Vibrational spectra 24%
• Energy barriers 23%
• Peptides 20%
• Conformations 19%
• Protons 18%
• Spectroscopy 16%
• Nuclear energy 15%
• Large scale systems 12%

Physics & Astronomy

• thermochemistry 86%
• kinetics 36%
• functionals 33%
• interactions 24%
• energy 17%
• atomizing 17%
• isomerization 11%
• molecules 10%
• education 9%
• uracil 7%
• trimers 6%
• electron affinity 5%
• peptides 5%
• affinity 5%
• complex systems 5%
• ionization potentials 5%
• nuclear energy 5%
• electronics 5%
• self consistent fields 5%
• chemistry 4%
• dissociation 4%
• optimization 3%
• gradients 3%
• protons 3%
• spectroscopy 2%
• excitation 2%

Chemical Compounds

• Thermochemistry 71%
• Energy 28%
• Enthalpy of Atomization 28%
• Bond Length 11%
• Isomerization 10%
• Electronic Spectroscopy 8%
• Proton Affinity 7%
• Uracil 7%
• Electronic Transition 7%
• Ionization Potential 6%
• Trimer 6%
• Vibrational Frequency 6%
• Energy Barrier 6%
• Complexation 5%
• Dissociation 4%
• Molecule 4%
• Peptide 3%
• Reaction Yield 2%