Characterization of supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations (Articolo in rivista)

Type
Label
  • Characterization of supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp061776a (literal)
Alternative label
  • Bronco, S; Cappelli, C; Monti, S (2006)
    Characterization of supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations
    in The journal of physical chemistry. B
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Bronco, S; Cappelli, C; Monti, S (literal)
Pagina inizio
  • 13227 (literal)
Pagina fine
  • 13234 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 110 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
  • Scopus (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Istituto per i Processi Chimico-Fisici (IPCF-CNR), Area della Ricerca, Via G. Moruzzi 1, I-56124 Pisa, Italy, and PolyLab-CNR, and Dipartimento di Chimica e Chimica Industriale, UniVersita` degli Studi di Pisa, Via Risorgimento 35, I-56126 Pisa, Italy (literal)
Titolo
  • Characterization of supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations (literal)
Abstract
  • The binding of Cr(III) with (2R,3S,4R)-(+)-3,3',4,4',7-flavanpentol in aqueous solution is investigated by atomistic molecular dynamics simulations concentrating the analysis of the sampled data on the polyphenol ability to chelate metal ions and to form large noncovalently bonded molecular and supramolecular architectures. (literal)
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