Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core (Articolo in rivista) (literal)

Anno

• 2011-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1016/j.comptc.2011.02.016 (literal)

Alternative label

• Benassi, Enrico; Spagnolo, Ferdinando (2011)
  Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core
  in Computational and theoretical chemistry (Print)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Benassi, Enrico; Spagnolo, Ferdinando (literal)

Pagina inizio

• 75 (literal)

Pagina fine

• 83 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 966 (literal)

Rivista

• Computational and theoretical chemistry (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 9 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 1-3 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• CNR Ist Nanosci; Dipartimento Mil Med Legale (literal)

Titolo

• Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core (literal)

Abstract

• During the last few decades, the oxygenated chelant complexes of the Gallium(III) ion have been utilised in biological and pharmaceutical fields, because of their remarkable therapeutical properties, especially for the clinical anti-cancer treatments. Main purpose of the present work is to investigate, from a theoretical and computational point of view, the thermodynamic, structural and electronic properties of the complexes and the complexation equilibria of the Ga(III) ion with two oxygenated chelant ligands (acetylacetone and 1,7-diphenyl-5-hydroxy-1,4,6-heptatrien-3-one), in vacuo. Comparisons with Literature experimental data are even discussed. (C) 2011 Elsevier B.V. All rights reserved. (literal)

Prodotto di

• Nanobiosistemi (MD.P06.010.002) (Modulo)

Autore CNR

• ENRICO BENASSI (Unità di personale esterno)

Insieme di parole chiave

• Keywords of "Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• ENRICO BENASSI (Unità di personale esterno)

Prodotto

• Nanobiosistemi (MD.P06.010.002) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Computational and theoretical chemistry (Rivista)

Insieme di parole chiave di

• Keywords of "Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core" (Insieme di parole chiave)