Determinants of the FeXo (X = C, N, O) vibrational frequencies in heme adducts from experiment and density functional theory

Engineering & Materials Science

• Vibrational spectra 90%
• Density functional theory 85%
• Ligands 76%
• Porphyrins 25%
• Stretching 22%
• Experiments 20%
• Hemeproteins 16%
• Discrete Fourier transforms 15%
• Electrons 14%
• Isomers 10%
• Raman scattering 10%
• Molecules 6%
• Proteins 6%
• Chemical activation 6%
• Metals 4%
• Geometry 4%

Chemical Compounds

• Vibrational Frequency 55%
• Heme 53%
• Adduct 40%
• Density Functional Theory 35%
• Orbital 21%
• Ligand 16%
• Porphyrin 10%
• Resonance Raman Spectrum 7%
• Vibrational Spectrum 6%
• Valence 5%
• Protein 5%
• Displacement 5%
• Compound Isomer 4%
• Energy 2%

Medicine & Life Sciences

• Heme 63%
• Carbon Monoxide 51%
• Ligands 40%
• Porphyrins 18%
• porphine 13%
• Electrons 11%
• Hemeproteins 11%
• Metals 6%
• Direction compound 5%
• Proteins 2%