The SPASIBA force field for studying iron-tannins interactions: Application to Fe 3+/Fe 2+ catechol complexes

International Journal of Molecular Sciences

Volumn 8, Issue 3, 2007, Pages 259-272

  Yapo Kicho, D ^a   Lagant, P ^a   Vergoten, G ^a  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

(FeIII FeII) Poyphenols interactions; Density Functional Theory; SPASIBA force field; Tannins

Indexed keywords

CATECHOL; FERRIC ION; FERROUS ION; HYDROXYL GROUP; IRON; POLYPHENOL DERIVATIVE; TANNIN DERIVATIVE;

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

EID: 34047240662     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/i8030259     Document Type: Article

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