Nucleic acid reactivity: Challenges for next-generation semiempirical quantum models

Chemical Compounds

• Phosphoryl 81%
• Nucleoside 66%
• Nucleic Acid 60%
• Proton Affinity 56%
• Nucleobase 52%
• Polarizability 49%
• Torsion 49%
• Nucleic Acid Structure 34%
• Phosphate 31%
• Anion 28%
• Potential Energy Surface 22%
• Transfer Reaction 22%
• Binding Energy 21%
• Catalysis 15%
• Strength 15%
• Substitution Reaction 15%
• Probe 14%
• Hydrogen 12%
• Energy 11%
• Molecule 8%

Mathematics

• Reactivity 100%
• Model 23%
• Phosphate 15%
• Sugars 15%
• Density Functional 15%
• Dimer 13%
• Affine transformation 11%
• Torsion 9%
• Phosphorus 8%
• Potential Energy Surface 8%
• Binding Energy 8%
• Catalysis 7%
• Tight-binding 7%
• Interaction 7%
• Hydrogen 6%
• Divide and conquer 6%
• Conformation 6%
• Functional Model 6%
• Probe 6%
• Baseline 5%
• Overlap 5%
• Quantify 5%
• Benchmark 5%
• Molecules 5%
• Substitution 4%
• Profile 4%
• Scaling 4%
• Energy 3%
• Modeling 3%
• Ring 3%
• Performance 3%