Theoretical study on orientations of axially coordinated imidazoles in model systems of cytochromes

Inorganica Chimica Acta

Volumn 349, Issue , 2003, Pages 1-5

  Medaković, Vesna ^a   Zarić, Snežana D ^a,b  

^a UNIVERSITY OF BELGRADE   (Serbia)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

DFT calculations; Heme; Imidazole; Iron; Ligands; Porphyrins; Proteins; Steric interactions

Indexed keywords

COORDINATION REACTIONS; IRON; LIGANDS; PLANTS (BOTANY); PORPHYRINS; PROTEINS; QUANTUM CHEMISTRY;

DFT CALCULATION; ENERGY DIFFERENCES; HEME; IMIDAZOLE; PERPENDICULAR ORIENTATION; QUANTUM CHEMICAL; STERIC INTERACTIONS; THEORETICAL STUDY;

IRON COMPOUNDS;

COORDINATION COMPOUND; CYTOCHROME; IMIDAZOLE DERIVATIVE; IRON; IRON COMPLEX; PORPHYRIN;

ARTICLE; CALCULATION; CHEMICAL MODEL; CHEMICAL STRUCTURE; ENERGY; ORIENTATION; QUANTUM CHEMISTRY; THEORY;

EID: 0038730429     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0020-1693(03)00086-0     Document Type: Article

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