Hybrid density functional methods empirically optimized for the computation of ¹³C and ¹H chemical shifts in chloroform solution

Physics & Astronomy

• chloroform 74%
• chemical equilibrium 62%
• education 58%
• antibiotics 40%
• predictions 31%
• molecules 31%
• regression analysis 30%
• functionals 27%
• nuclear magnetic resonance 23%
• gradients 19%
• approximation 15%

Engineering & Materials Science

• Chemical shift 100%
• Chlorine compounds 92%
• Molecules 57%
• Lactams 56%
• Antibiotics 42%
• Nuclear magnetic resonance 35%
• Linear regression 29%

Chemical Compounds

• Chloroform 49%
• Chemical Shift 47%
• DFT-B3LYP Calculation 31%
• NMR Spectrum 25%
• Resonance 23%
• Antimicrobial Agent 20%
• Molecule 20%