Sfoglia per Autore
Erratum: Crystal polymorphism of hexylammonium chloride and structural properties of its mixtures with water (Journal of Physical Chemistry B (2012) 116: 7 (2104-2113))
2012 Migliorati, V.; Ballirano, P.; Gontrani, L.; Caminiti, R.
Carbon monoxide binding to the heme group at the dimeric interface modulates structure and copper accessibility in the Cu,Zn superoxide dismutase from Haemophilus ducreyi: In silico and in vitro evidences
2012 Giovanni, Chillemi; DE SANTIS, Serena; Mattia, Falconi; Giordano, Mancini; Migliorati, Valentina; Andrea, Battistoni; Francesca, Pacello; Alessandro, Desideri; D'Angelo, Paola
Influence of the Second Coordination Shell on the XANES Spectra of the Zn2+Ion in Water and Methanol
2012 Migliorati, Valentina; Zitolo, Andrea; Giovanni, Chillemi; D'Angelo, Paola
The Interpretation of Diffraction Patterns of Two Prototypical Protic Ionic Liquids: a Challenging Task for Classical Molecular Dynamics Simulations
2012 Gontrani, Lorenzo; Bodo, Enrico; Alessandro, Triolo; Leonelli, Francesca; D'Angelo, Paola; Migliorati, Valentina; Caminiti, Ruggero
Theoretical Description of Ionic Liquids
2013 Bodo, Enrico; Migliorati, Valentina
A quantum mechanics, molecular dynamics and EXAFS investigation into the Hg2+ ion solvation properties in methanol solution
2013 Migliorati, Valentina; D'Angelo, Paola
K-edge XANES investigation of octakis(DMSO)lanthanoid(iii) complexes in DMSO solution and solid iodides
2013 D'Angelo, Paola; Migliorati, Valentina; Riccardo, Spezia; Simone De, Panfilis; Ingmar, Persson; Zitolo, Andrea
Using a combined theoretical and experimental approach to understand the structure and dynamics of imidazolium-based ionic liquids/water mixtures. 1. MD simulations
2013 Migliorati, Valentina; Zitolo, Andrea; D'Angelo, Paola
A combined theoretical and experimental study of solid octyl and decylammonium chlorides and of their aqueous solutions
2013 Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Materazzi, Stefano; Ceccacci, Francesca; Caminiti, Ruggero
Using a combined theoretical and experimental approach to understand the structure and dynamics of imidazolium-based ionic liquids/water mixtures. 2. EXAFS spectroscopy
2013 D'Angelo, Paola; Zitolo, Andrea; Giuliana, Aquilanti; Migliorati, Valentina
Hydration Properties of the Zn2+ Ion in Water at High Pressure
2013 Migliorati, Valentina; Mancini, Giordano; Giordano, Mancini; Simone, Tatoli; Zitolo, Andrea; Adriano, Filipponi; Simone De, Panfilis; Andrea Di, Cicco; D'Angelo, Paola
Quantitative Analysis of Deconvolved X-ray Absorption Near-Edge Structure Spectra: A Tool To Push the Limits of the X-ray Absorption Spectroscopy Technique.
2014 D'Angelo, Paola; Migliorati, Valentina; Ingmar, Persson; Giordano, Mancini; Stefano Della, Longa
On the possibility of using XANES to investigate bromide-based ionic liquids
2014 Zitolo, Andrea; Migliorati, Valentina; Giuliana, Aquilanti; D'Angelo, Paola
Unraveling halide hydration: A high dilution approach
2014 Migliorati, Valentina; Sessa, Francesco; Giuliana, Aquilanti; D'Angelo, Paola
Unraveling the perturbation induced by Zn2+ and Hg2+ ions on the hydrogen bond patterns of liquid methanol
2015 Migliorati, Valentina; D'Angelo, Paola
Combining EXAFS spectroscopy and molecular dynamics simulations to understand the structural and dynamic properties of an imidazolium iodide ionic liquid
2015 Migliorati, Valentina; Serva, Alessandra; G., Aquilanti; L., Olivi; S., Pascarelli; O., Mathon; D'Angelo, Paola
Local order and long range correlations in imidazolium halide ionic liquids: a combined molecular dynamics and XAS study
2015 Migliorati, Valentina; Serva, Alessandra; G., Aquilanti; S., Pascarelli; D'Angelo, Paola
Solvation structure of Zn2+ and Cu2+ ions in acetonitrile: a combined EXAFS and XANES study
2015 D'Angelo, Paola; Migliorati, Valentina
Structural Properties and Aggregation Behavior of 1-Hexyl-3-methylimidazolium Iodide in Aqueous Solutions
2015 D'Angelo, Paola; Serva, Alessandra; Aquilanti, Giuliana; Pascarelli, Sakura; Migliorati, Valentina
The non-octarepeat copper binding site of the prion protein is a key regulator of prion conversion
2015 Giachin, Gabriele; Mai, Phuong Thao; Tran, Thanh Hoa; Salzano, Giulia; Benetti, Federico; Migliorati, Valentina; Arcovito, Alessandro; Longa, Stefano Della; Mancini, Giordano; D'Angelo, Paola; Legname, Giuseppe
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