Quantum mechanical investigations of heme structure and vibrational spectra: Effects of conformation, oxidation state, and electric field

Langmuir

Volumn 25, Issue 1, 2009, Pages 548-554

  Mitin, Alexander V ^a   Kubicki, James D ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

D ORBITALS; ELECTRON TRANSFERS; ELECTRON-TRANSFER KINETICS; HEME COMPLEXES; HEME GROUPS; IMIDAZOLE GROUPS; LANGMUIR; LOCAL MINIMUMS; ORBITAL ENERGIES; OXIDATION STATE; OXIDIZED CYTOCHROMES; OXIDIZED STATE; PORPHYRIN RINGS; PROTEIN STRUCTURES; QUANTUM MECHANICALS; QUANTUM-MECHANICAL CALCULATIONS; RAMAN INTENSITIES; RAMAN SPECTRUM; REDUCED STATE; RELATIVE ENERGIES; SURFACE-ENHANCED RAMAN SPECTRUM; VIBRATION BANDS;

CELL MEMBRANES; CONFORMATIONS; CYTOLOGY; ELECTRIC FIELD EFFECTS; ELECTRON TRANSITIONS; HEMOGLOBIN; MOLECULAR SPECTROSCOPY; OXIDATION; PORPHYRINS; RAMAN SPECTROSCOPY;

RAMAN SCATTERING;

HEME;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRICITY; OXIDATION REDUCTION REACTION; PROTEIN CONFORMATION; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

ELECTRICITY; HEME; MODELS, MOLECULAR; OXIDATION-REDUCTION; PROTEIN CONFORMATION; QUANTUM THEORY; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 60849137858     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la802647c     Document Type: Article

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