Spectroscopic and density functional theory studies of the blue-copper site in M121SeM and C112SeC azurin: Cu-Se versus Cu-S bonding

Keyphrases

• Azurin 100%
• Density Functional Theory 100%
• Blue Copper Site 100%
• Magnetic Circular Dichroism 50%
• UV-Vis Spectra 33%
• S K-edge 33%
• Cysteine 16%
• Bond Length 16%
• Spectroscopic Data 16%
• Pseudomonas Aeruginosa (P. aeruginosa) 16%
• Cu(II) 16%
• Density Functional Calculations 16%
• Electronic Structure 16%
• Thiolate 16%
• Resonance Raman 16%
• Resonance Raman Spectra 16%
• Spin-orbit Coupling 16%
• Ground State Wave Function 16%
• Resonance Raman Spectroscopy 16%
• Deformation Mode 16%
• Thioether 16%
• Model Complex 16%
• X-ray Absorption 16%
• Covalent Interaction 16%
• C-term 16%
• K-edge XAS 16%
• Multi-feature 16%
• Selenolate 16%
• Kinematic Coupling 16%
• Structure Difference 16%

Chemistry

• Magnetic Circular Dichroism 100%
• Density Functional Theory Study 100%
• UV/VIS Spectroscopy 66%
• Bond Length 33%
• Ground State 33%
• Electronic State 33%
• Substance Spectroscopy 33%
• Resonance Raman Spectrum 33%
• X Ray Absorption Spectroscopy 33%
• Spin-Orbit Coupling 33%
• Wave Function 33%
• Density Functional Theory 33%
• Raman Spectrometry 33%
• Cysteine 33%

Pharmacology, Toxicology and Pharmaceutical Science

• Azurin 100%
• Cysteine 16%
• Pseudomonas aeruginosa 16%
• Bond Length 16%
• X-Ray Absorption 16%
• Thiolates 16%
• Thioether 16%