D'ANGELO, Paola
D'ANGELO, Paola
DIPARTIMENTO DI CHIMICA
A coupled Car-Parinello Molecular Dynamics and EXAFS Data Analysis Investigation of Aqueous Co2+
2006 R., Spezia; M., Duvail; P., Vitorge; T., Catailler; J., Tortajada; G., Chillemi; D'Angelo, Paola; M. P., Gaigeot
A coupled molecular dynamics and XANES data analysis investigation of aqueous cadmium(II)
2008 D'Angelo, Paola; Migliorati, Valentina; Giordano, Mancini; Giovanni, Chillemi
A low transition temperature mixture for the dispersive liquid-liquid microextraction of pesticides from surface waters
2019 Tomai, Pierpaolo; Lippiello, Anna; D’Angelo, Paola; Persson, Ingmar; Martinelli, Andrea; DI LISIO, Valerio; Curini, Roberta; Fanali, Chiara; Gentili, Alessandra
A quantitative structural investigation of the XANES spectra of potassium ferrocyanide (III) at the iron K-edge
2005 Hayakawa, K; Hatada, K; Natoli, Cr; D'Angelo, Paola; DELLA LONGA, S; Benfatto, M.
A quantum mechanics, molecular dynamics and EXAFS investigation into the Hg2+ ion solvation properties in methanol solution
2013 Migliorati, Valentina; D'Angelo, Paola
A structural study of the hydrated and the dimethylsulfoxide, N,N'-dimethylpropyleneurea, N,N-dimethylthioformamide solvated iron(II) and iron(III) ions in solution and solid state
2007 D., Lundberg; A. S., Ullstrm; D'Angelo, Paola; I., Persson
A structural study of the N,N'-dimethylpropyleneurea solvated zinc(II) and cadmium(II) ions in solution and crystalline state
2007 L., Eriksson; D'Angelo, Paola; I., Persson; D., Lundeberg
Accurate determination of molecular structures by x-ray diffraction spectroscopy
1998 A., Filipponi; D'Angelo, Paola
Activation of C-H bonds by a nonheme iron(iv)-oxo complex: mechanistic evidence through a coupled EDXAS/UV-Vis multivariate analysis
2021 Tavani, Francesco; Capocasa, Giorgio; Martini, Andrea; Sessa, Francesco; DI STEFANO, Stefano; Lanzalunga, Osvaldo; D'Angelo, Paola
Advances in the quantitative structural analysis of XAS data
2006 M., Benfatto; S., DELLA LONGA; D'Angelo, Paola
Advances in the theoretical analysis of the XANES (X-Ray Absorption Near Edge Structure) energy region for quantitative structural use
2005 Benfatto, M; DELLA LONGA, S; D'Angelo, Paola
An extended x-ray absorption fine structure study by emplying molecular dynamics simulations: Bromine ion in methanolic solution
1996 D'Angelo, Paola; DI NOLA, Alfredo; M., Mangoni; Pavel, Nicolae Viorel
An Extended X-ray Absorption Fine Structure study of aqueous solutions by employing Molecular Dynamics simulations
1994 D'Angelo, Paola; Dinola, A; Filipponi, A; Pavel, Nicolae Viorel; Roccatano, D.
An X-ray diffraction and X-ray absorption spectroscopy joint study of neuroglobin
2008 Arcovito, Alessandro; Moschetti, Tommaso; D'Angelo, Paola; Mancini, Giordano; Vallone, Beatrice; Brunori, Maurizio; Stefano Della, Longa
Analysis of the Detailed Configuration of Hydrated Lanthanoid(III) Ions in Aqueous Solution and Crystalline Salts by Using K- and L-3-Edge XANES Spectroscopy
2010 D'Angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Ingmar, Persson
Anatomy of a deep eutectic solvent: structural properties of choline chloride : sesamol 1 : 3 compared to reline
2021 Busato, Matteo; Migliorati, Valentina; Del Giudice, Alessandra; Di Lisio, Valerio; Tomai, Pierpaolo; Gentili, Alessandra; D'Angelo, Paola
Application of a low transition temperature mixture for the dispersive liquid–liquid microextraction of illicit drugs from urine samples
2021 Gallo, Valeria; Tomai, Pierpaolo; Di Lisio, Valerio; Dal Bosco, Chiara; D'Angelo, Paola; Fanali, Chiara; D'Orazio, Giovanni; Silvestro, Ilaria; Pico, Yolanda; Gentili, Alessandra
Assessment of the validity of intermolecular potential models used in molecular dynamics simulations by extended x-ray absorption fine structure spectroscopy: A case study of Sr2+ in methanol solution
1998 D., Roccatano; H. J. C., Berendsen; D'Angelo, Paola
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
Catching the Reversible Formation and Reactivity of Surface Defective Sites in Metal-Organic Frameworks: An Operando Ambient Pressure-NEXAFS Investigation
2021 Braglia, L.; Tavani, F.; Mauri, S.; Edla, R.; Krizmancic, D.; Tofoni, A.; Colombo, V.; D'Angelo, P.; Torelli, P.