Density functional and reduction potential calculations of Fe4S4 clusters

Journal of the American Chemical Society

Volumn 125, Issue 7, 2003, Pages 1923-1936

  Torres, Rhonda A ^a   Lovell, Timothy ^a   Noodleman, Louis ^a   Case, David A ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

REDUCTION POTENTIAL;

HYDROGEN BONDS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; PROTEINS; REDOX REACTIONS; SOLVENTS;

IRON COMPOUNDS;

AMIDE; FERREDOXIN; IRON; IRON SULFUR PROTEIN; LIGAND; NITROGENASE; SOLVENT; SULFUR; THIOL DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL BOND; CORRELATION ANALYSIS; DIPOLE; ELECTRIC POTENTIAL; ENERGY; EXPERIMENTAL MODEL; GEOMETRY; HYDROGEN BOND; OXIDATION REDUCTION POTENTIAL; OXIDATION REDUCTION STATE; PHOTOSYSTEM I; PREDICTION; STRUCTURE ANALYSIS; THEORY;

ELECTROCHEMISTRY; FERREDOXINS; IRON; IRON-SULFUR PROTEINS; MODELS, CHEMICAL; MODELS, MOLECULAR; NITROGENASE; OXIDATION-REDUCTION; PHOTOSYNTHETIC REACTION CENTER COMPLEX PROTEINS; PHOTOSYSTEM I PROTEIN COMPLEX; PROTEIN CONFORMATION; SULFUR; THERMODYNAMICS;

EID: 0037442880     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0211104     Document Type: Article

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