11573/1730709 - 2025 -
Simulations of γ-Valerolactone Solvents and Electrolytes for Lithium Batteries Using Polarizable Molecular Dynamics Pierini, Adriano; Migliorati, Valentina; Gómez-Urbano, Juan Luis; Balducci, Andrea; Brutti, Sergio; Bodo, Enrico - 01a Articolo in rivista
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-14 - issn: 1420-3049 - wos: WOS:001404318000001 (1) - scopus: 2-s2.0-85216105173 (1)
11573/1743684 - 2025 -
A gold nanoparticle-enhanced methylene blue electrochemical sensor for detecting waterborne anionic surfactants and PFAS Simonetti, Federica; Buccini, Riccardo; Migliorati, Valentina; Mancini, Marco; Caterino, Daniele; Gioia, Valentina; Agostini, Marco; Mazzei, Franco; Ciccola, Alessandro; Favero, Gabriele; Zumpano, Rosaceleste - 01a Articolo in rivista
rivista: ENVIRONMENTAL RESEARCH (Amsterdam: Elsevier
Orlando, FL: Academic Press Incorporated) pp. 1-13 - issn: 0013-9351 - wos: WOS:001530397000006 (0) - scopus: (0)
11573/1728804 - 2024 -
Does Pb2+ form holodirected or hemidirected solvation geometries in water? Migliorati, Valentina; De Santis, Eleonora; D’Angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 11748-11758 - issn: 1520-6106 - wos: WOS:001354002600001 (0) - scopus: 2-s2.0-85209901955 (1)
11573/1704264 - 2023 -
On the formation of inner-sphere solvation complexes in dilute acetonitrile solutions of the Hg(NO3)2 and Hg(TfO)2 salts: a Molecular Dynamics study Migliorati, Valentina; D'angelo, Paola - 01a Articolo in rivista
rivista: RESULTS IN CHEMISTRY (Amsterdam: Elsevier B.V.) pp. 1-6 - issn: 2211-7156 - wos: WOS:001150302600001 (1) - scopus: 2-s2.0-85177775606 (1)
11573/1704263 - 2023 -
Going beyond Radial Hydration Models: The Hidden Structures of Chloride and Iodide Aqua Ions Revealed by the Use of Lone Pairs Migliorati, Valentina; D'angelo, Paola; Sessa, Francesco - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 10843-10850 - issn: 1520-6106 - wos: WOS:001129009600001 (1) - scopus: 2-s2.0-85180111577 (2)
11573/1691302 - 2023 -
Evolution of the La(III) ion coordination sphere in ethylammonium nitrate solution upon water addition Sessa, F; Busato, M; Meneghini, C; Migliorati, V; Lapi, A; D'angelo, P - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 1-8 - issn: 0167-7322 - wos: WOS:001079702400001 (4) - scopus: 2-s2.0-85168161144 (4)
11573/1670622 - 2022 -
Response to Comment on "Structural Study of a Eutectic Solvent Reveals Hydrophobic Segregation and Lack of Hydrogen Bonding between the Components" Busato, M; Mannucci, G; Di Lisio, V; Martinelli, A; Del Giudice, A; Tofoni, A; Dal Bosco, C; Migliorati, V; Gentili, A; D'angelo, P - 01a Articolo in rivista
rivista: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 8671-8672 - issn: 2168-0485 - wos: WOS:000823421800001 (3) - scopus: 2-s2.0-85134852654 (5)
11573/1640975 - 2022 -
Structural study of a eutectic solvent reveals hydrophobic segregation and lack of hydrogen bonding between the components Busato, Matteo; Mannucci, Giorgia; Di Lisio, Valerio; Martinelli, Andrea; Del Giudice, Alessandra; Tofoni, Alessandro; Dal Bosco, Chiara; Migliorati, Valentina; Gentili, Alessandra; D'angelo, Paola - 01a Articolo in rivista
rivista: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 6337-6345 - issn: 2168-0485 - wos: WOS:000800078600018 (19) - scopus: 2-s2.0-85147088976 (22)
11573/1670842 - 2022 -
Direct Observation of Contact Ion-Pair Formation in La3+ Methanol Solution D'angelo, Paola; Migliorati, Valentina; Gibiino, Alice; Busato, Matteo - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, D.C. : American Chemical Society, c1962-) pp. 17313-17321 - issn: 1520-510X - wos: WOS:000875694100001 (9) - scopus: 2-s2.0-85140627227 (9)
11573/1670834 - 2022 -
Solvation structure of the Hg(NO3)2 and Hg(TfO)2 salts in dilute aqueous and methanol solutions: An insight into the Hg2+ coordination chemistry Migliorati, V.; Busato, M.; D'angelo, P. - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 1-9 - issn: 0167-7322 - wos: WOS:000862385500007 (7) - scopus: 2-s2.0-85134586037 (7)
11573/1665441 - 2022 -
Crystalline structuring of confined ionic liquids at room temperature Migliorati, Valentina; Del Giudice, Alessandra; Casu, Alberto; Falqui, Andrea; Podestà, Alessandro; Milani, Paolo; Borghi, Francesca - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. C (Washington, D.C.: American Chemical Society, c1997-) pp. 13477-13484 - issn: 1932-7447 - wos: WOS:000841252400001 (3) - scopus: 2-s2.0-85136126379 (4)
11573/1575748 - 2021 -
Fate of a deep eutectic solvent upon cosolvent addition: choline chloride-sesamol 1:3 mixtures with methanol Busato, Matteo; Del Giudice, Alessandra; Di Lisio, Valerio; Tomai, Pierpaolo; Migliorati, Valentina; Gentili, Alessandra; Martinelli, Andrea; D'angelo, Paola - 01a Articolo in rivista
rivista: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 12252-12261 - issn: 2168-0485 - wos: WOS:000696378200022 (21) - scopus: 2-s2.0-85115187109 (27)
11573/1521887 - 2021 -
Transition from molecular- to nano-scale segregation in a deep eutectic solvent - water mixture Busato, Matteo; Di Lisio, Valerio; Del Giudice, Alessandra; Tomai, Pierpaolo; Migliorati, Valentina; Galantini, Luciano; Gentili, Alessandra; Martinelli, Andrea; D’Angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. - - issn: 0167-7322 - wos: WOS:000643580500046 (25) - scopus: 2-s2.0-85101922149 (26)
11573/1552549 - 2021 -
Anatomy of a deep eutectic solvent: structural properties of choline chloride : sesamol 1 : 3 compared to reline Busato, Matteo; Migliorati, Valentina; Del Giudice, Alessandra; Di Lisio, Valerio; Tomai, Pierpaolo; Gentili, Alessandra; D'angelo, Paola - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 11746-11754 - issn: 1463-9076 - wos: WOS:000649752200001 (19) - scopus: 2-s2.0-85107010004 (20)
11573/1559685 - 2021 -
Deep eutectic solvents: a structural point of view on the role of the anion Migliorati, Valentina; D’Angelo, Paola - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. - - issn: 0009-2614 - wos: WOS:000662693000010 (17) - scopus: 2-s2.0-85105964894 (16)
11573/1506172 - 2021 -
Solubilization properties and structural characterization of dissociated HgO and HgCl2 in deep eutectic solvents Migliorati, Valentina; Fazio, Giuseppe; Pollastri, Simone; Gentili, Alessandra; Tomai, Pierpaolo; Tavani, Francesco; D'angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. - - issn: 0167-7322 - wos: WOS:000636646200024 (16) - scopus: 2-s2.0-85100650045 (17)
11573/1575741 - 2021 -
On the coordination chemistry of the lanthanum(III) nitrate salt in EAN/MeOH mixtures Migliorati, Valentina; Gibiino, Alice; Lapi, Andrea; Busato, Matteo; D'angelo, Paola - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 10674-10685 - issn: 0020-1669 - wos: WOS:000675430900060 (13) - scopus: 2-s2.0-85111082584 (13)
11573/1470430 - 2020 -
Elusive Coordination of the Ag+ Ion in Aqueous Solution: Evidence for a Linear Structure Busato, M.; Melchior, A.; Migliorati, V.; Colella, A.; Persson, I.; Mancini, G.; Veclani, D.; D'angelo, P. - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, D.C. : American Chemical Society, c1962-) pp. 17291-17302 - issn: 1520-510X - wos: WOS:000599190300058 (37) - scopus: 2-s2.0-85097585193 (38)
11573/1441528 - 2020 -
Unraveling the solvation geometries of the lanthanum(III) bistriflimide salt in ionic liquid/acetonitrile mixtures Migliorati, V.; Lapi, A.; D'angelo, P. - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS ([London, England] : Royal Society of Chemistry, 1999-) pp. 20434-20443 - issn: 1463-9084 - wos: WOS:000572458900019 (6) - scopus: 2-s2.0-85091553549 (7)
11573/1322384 - 2019 -
Solvation structure of lanthanide(iii) bistriflimide salts in acetonitrile solution: A molecular dynamics simulation and EXAFS investigation Migliorati, V.; Filipponi, Alessandro; Sessa, F.; Lapi, A.; Serva, A.; D'angelo, P. - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 13058-13069 - issn: 1463-9076 - wos: WOS:000472214000030 (12) - scopus: 2-s2.0-85067953602 (12)
11573/1321998 - 2019 -
Deep eutectic solvents: a structural point of view on the role of the cation Migliorati, V.; Sessa, F.; D'angelo, P. - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS. X (Amsterdam: Elsevier B.V.) pp. - - issn: 2590-1419 - wos: (0) - scopus: 2-s2.0-85060738573 (88)
11573/1322393 - 2019 -
Unraveling the hydration properties of the Ba2+ aqua ion: the interplay of quantum mechanics, molecular dynamics, and EXAFS spectroscopy Migliorati, Valentina; Caruso, Alessandro; D'angelo, Paola - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 14551-14559 - issn: 0020-1669 - wos: WOS:000494894400029 (24) - scopus: 2-s2.0-85073815784 (27)
11573/1322352 - 2019 -
Response to "comment on 'On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii'" [J. Chem. Phys. 150, 097101 (2019)] Spezia, R.; Migliorati, V.; D'angelo, P. - 01f Lettera, Nota
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 097102-1-097102-3 - issn: 0021-9606 - wos: WOS:000460786600050 (2) - scopus: 2-s2.0-85062620962 (0)
11573/1175502 - 2018 -
Influence of counterions on the hydration structure of Lanthanide ions in dilute aqueous solutions Migliorati, Valentina; Serva, Alessandra; Sessa, Francesco; Lapi, Andrea; D'angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 2779-2791 - issn: 1520-6106 - wos: WOS:000427910000009 (43) - scopus: 2-s2.0-85044121443 (45)
11573/1068765 - 2018 -
Combined distribution functions: a powerful tool to identify cation coordination geometries in liquid systems Sessa, Francesco; D'angelo, Paola; Migliorati, Valentina - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 437-443 - issn: 0009-2614 - wos: WOS:000418590200072 (23) - scopus: 2-s2.0-85036589207 (23)
11573/1172789 - 2018 -
Ce3+and La3+ions in ethylammonium nitrate: A XANES and molecular dynamics investigation Sessa, Francesco; Migliorati, Valentina; Lapi, Andrea; D'angelo, Paola - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 311-316 - issn: 0009-2614 - wos: WOS:000440458100049 (7) - scopus: 2-s2.0-85048733977 (8)
11573/1068764 - 2018 -
On the coordination of Zn2+ion in Tf2N-based ionic liquids: Structural and dynamic properties depending on the nature of the organic cation Sessa, Francesco; Migliorati, Valentina; Serva, Alessandra; Lapi, Andrea; Aquilanti, Giuliana; Mancini, Giordano; D'angelo, Paola - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 2662-2675 - issn: 1463-9076 - wos: WOS:000423505500053 (0) - scopus: 2-s2.0-85041189166 (0)
11573/1068743 - 2017 -
Structure of water in Zn2+ aqueous solutions from ambient conditions up to the gigapascal pressure range: A XANES and molecular dynamics study Migliorati, Valentina; Filipponi, Adriano; Di Cicco, Andrea; De Panfilis, Simone; D'angelo, Paola - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 14013-14022 - issn: 0020-1669 - wos: WOS:000416297200041 (10) - scopus: 2-s2.0-85034654033 (10)
11573/1017935 - 2017 -
Development of Lennard-Jones and Buckingham Potentials for Lanthanoid Ions in Water Migliorati, Valentina; Serva, Alessandra; Terenzio, Filippo Maria; D'angelo, Paola - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 6214-6224 - issn: 0020-1669 - wos: WOS:000402950600022 (0) - scopus: 2-s2.0-85020272672 (0)
11573/991259 - 2017 -
Following a chemical reaction on the millisecond time scale by simultaneous X-ray and UV/Vis spectroscopy Olivo, Giorgio; Barbieri, Alessia; Dantignana, Valeria; Sessa, Francesco; Migliorati, Valentina; Monte, Manuel; Pascarelli, Sakura; Narayanan, Theyencheri; Lanzalunga, Osvaldo; Di Stefano, Stefano; D'angelo, Paola - 01a Articolo in rivista
rivista: THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS (Washington, DC: American Chemical Society) pp. 2958-2963 - issn: 1948-7185 - wos: WOS:000405252600031 (9) - scopus: 2-s2.0-85021906553 (11)
11573/1015657 - 2017 -
How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study Serva, Alessandra; Migliorati, Valentina; Spezia, Riccardo; D'angelo, Paola - 01a Articolo in rivista
rivista: CHEMISTRY-A EUROPEAN JOURNAL (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 8424-8433 - issn: 0947-6539 - wos: WOS:000404009500017 (0) - scopus: 2-s2.0-85018841900 (0)
11573/1017933 - 2017 -
On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii Spezia, Riccardo; Migliorati, Valentina; D'angelo, Paola - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000414177600008 (35) - scopus: 2-s2.0-85022051993 (37)
11573/874168 - 2016 -
XANES reveals the flexible nature of hydrated Strontium in aqueous solution D'angelo, Paola; Migliorati, Valentina; Sessa, Francesco; Mancini, Giordano; Persson, Ingmar - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 4114-4124 - issn: 1520-6106 - wos: WOS:000375631300013 (57) - scopus: 2-s2.0-84969577642 (60)
11573/930012 - 2016 -
Unraveling the Sc3+ hydration geometry: the strange case of the far-coordinated water molecule Migliorati, Valentina; D'angelo, Paola - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 6703-6711 - issn: 0020-1669 - wos: WOS:000379455900044 (33) - scopus: 2-s2.0-84979021132 (34)
11573/933287 - 2016 -
Structural properties of geminal dicationic ionic liquid/water mixtures: a theoretical and experimental insight Serva, Alessandra; Migliorati, Valentina; Lapi, Andrea; Aquilanti, Giuliana; Arcovito, Alessandro; D'angelo, Paola - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 16544-16554 - issn: 1463-9076 - wos: WOS:000381056500057 (48) - scopus: 2-s2.0-84975105906 (50)
11573/930021 - 2016 -
Unveiling the complex network of interactions in Ionic Liquids: A combined EXAFS and Molecular Dynamics approach Serva, Alessandra; Migliorati, Valentina; Lapi, Andrea; D'angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICS. CONFERENCE SERIES (Bristol : Institute of Physics Publishing) pp. 012135- - issn: 1742-6588 - wos: WOS:000383249000136 (0) - scopus: 2-s2.0-84978699402 (0)
11573/834065 - 2015 -
Solvation structure of Zn2+ and Cu2+ ions in acetonitrile: a combined EXAFS and XANES study D'angelo, Paola; Migliorati, Valentina - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 4061-4067 - issn: 1520-6106 - wos: WOS:000351188300020 (46) - scopus: 2-s2.0-84924565505 (50)
11573/834090 - 2015 -
Structural Properties and Aggregation Behavior of 1-Hexyl-3-methylimidazolium Iodide in Aqueous Solutions D'angelo, Paola; Serva, Alessandra; Aquilanti, Giuliana; Pascarelli, Sakura; Migliorati, Valentina - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 14515-14526 - issn: 1520-6106 - wos: WOS:000364796500019 (0) - scopus: 2-s2.0-84946854591 (0)
11573/834080 - 2015 -
The non-octarepeat copper binding site of the prion protein is a key regulator of prion conversion 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 - 01a Articolo in rivista
rivista: SCIENTIFIC REPORTS (London: Springer Nature
London: Nature Publishing Group) pp. - - issn: 2045-2322 - wos: WOS:000363029900002 (35) - scopus: 2-s2.0-84944754712 (37)
11573/836056 - 2015 -
Unraveling the perturbation induced by Zn2+ and Hg2+ ions on the hydrogen bond patterns of liquid methanol Migliorati, Valentina; D'angelo, Paola - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 70-75 - issn: 0009-2614 - wos: WOS:000357655100012 (5) - scopus: 2-s2.0-84930194264 (5)
11573/782175 - 2015 -
Combining EXAFS spectroscopy and molecular dynamics simulations to understand the structural and dynamic properties of an imidazolium iodide ionic liquid Migliorati, Valentina; Serva, Alessandra; G., Aquilanti; L., Olivi; S., Pascarelli; O., Mathon; D'angelo, Paola - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 2464-2474 - issn: 1463-9076 - wos: WOS:000346906700022 (33) - scopus: 2-s2.0-84919784649 (34)
11573/783598 - 2015 -
Local order and long range correlations in imidazolium halide ionic liquids: a combined molecular dynamics and XAS study Migliorati, Valentina; Serva, Alessandra; G., Aquilanti; S., Pascarelli; D'angelo, Paola - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 16443-16453 - issn: 1463-9076 - wos: WOS:000356396300026 (38) - scopus: 2-s2.0-84934945636 (39)
11573/854897 - 2015 -
Hidden hydration structure of halide ions: an insight into the importance of lone pairs Sessa, Francesco; D'angelo, Paola; Guidoni, Leonardo; Migliorati, Valentina - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 15729-15737 - issn: 1520-6106 - wos: WOS:000367560600020 (27) - scopus: 2-s2.0-84952361107 (28)
11573/634982 - 2014 -
Quantitative Analysis of Deconvolved X-ray Absorption Near-Edge Structure Spectra: A Tool To Push the Limits of the X-ray Absorption Spectroscopy Technique. D'angelo, Paola; Migliorati, Valentina; Ingmar, Persson; Giordano, Mancini; Stefano Della, Longa - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 9778-9784 - issn: 0020-1669 - wos: WOS:000341747900035 (12) - scopus: 2-s2.0-84919722797 (13)
11573/634983 - 2014 -
Unraveling halide hydration: A high dilution approach Migliorati, Valentina; Sessa, Francesco; Giuliana, Aquilanti; D'angelo, Paola - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 044509-044509-11 - issn: 0021-9606 - wos: WOS:000340712200062 (51) - scopus: 2-s2.0-84905658381 (52)
11573/552524 - 2014 -
On the possibility of using XANES to investigate bromide-based ionic liquids Zitolo, Andrea; Migliorati, Valentina; Giuliana, Aquilanti; D'angelo, Paola - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 32-36 - issn: 0009-2614 - wos: WOS:000329210200008 (12) - scopus: 2-s2.0-84888880182 (12)
11573/524849 - 2013 -
Theoretical Description of Ionic Liquids Bodo, Enrico; Migliorati, Valentina - 02a Capitolo o Articolo
libro: The Structure of Ionic Liquids - ()
11573/526069 - 2013 -
K-edge XANES investigation of octakis(DMSO)lanthanoid(iii) complexes in DMSO solution and solid iodides D'angelo, Paola; Migliorati, Valentina; Riccardo, Spezia; Simone De, Panfilis; Ingmar, Persson; Zitolo, Andrea - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 8684-8691 - issn: 1463-9076 - wos: WOS:000319006100025 (18) - scopus: 2-s2.0-84878319685 (19)
11573/526071 - 2013 -
Using a combined theoretical and experimental approach to understand the structure and dynamics of imidazolium-based ionic liquids/water mixtures. 2. EXAFS spectroscopy D'angelo, Paola; Zitolo, Andrea; Giuliana, Aquilanti; Migliorati, Valentina - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 12516-12524 - issn: 1520-6106 - wos: WOS:000326126000019 (51) - scopus: 2-s2.0-84886941120 (52)
11573/521981 - 2013 -
A combined theoretical and experimental study of solid octyl and decylammonium chlorides and of their aqueous solutions Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Materazzi, Stefano; Ceccacci, Francesca; Caminiti, Ruggero - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 7806-7818 - issn: 1520-6106 - wos: WOS:000321236200033 (36) - scopus: 2-s2.0-84879586961 (43)
11573/526073 - 2013 -
A quantum mechanics, molecular dynamics and EXAFS investigation into the Hg2+ ion solvation properties in methanol solution Migliorati, Valentina; D'angelo, Paola - 01a Articolo in rivista
rivista: RSC ADVANCES (London: Royal Society of Chemistry) pp. 21118-21126 - issn: 2046-2069 - wos: WOS:000325950600200 (25) - scopus: 2-s2.0-84886920324 (25)
11573/513640 - 2013 -
Hydration Properties of the Zn2+ Ion in Water at High Pressure Migliorati, Valentina; Mancini, Giordano; Giordano, Mancini; Simone, Tatoli; Zitolo, Andrea; Adriano, Filipponi; Simone De, Panfilis; Andrea Di, Cicco; D'angelo, Paola - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 1141-1150 - issn: 0020-1669 - wos: WOS:000314007500072 (46) - scopus: 2-s2.0-84872582950 (48)
11573/526072 - 2013 -
Using a combined theoretical and experimental approach to understand the structure and dynamics of imidazolium-based ionic liquids/water mixtures. 1. MD simulations Migliorati, Valentina; Zitolo, Andrea; D'angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 12505-12515 - issn: 1520-6106 - wos: WOS:000326126000018 (53) - scopus: 2-s2.0-84886927888 (53)
11573/458248 - 2012 -
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 Giovanni, Chillemi; De Santis, Serena; Mattia, Falconi; Giordano, Mancini; Migliorati, Valentina; Andrea, Battistoni; Francesca, Pacello; Alessandro, Desideri; D'angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (Guilderland, NY: Adenine Press) pp. 269-279 - issn: 0739-1102 - wos: WOS:000306119000003 (6) - scopus: 2-s2.0-84863868659 (6)
11573/485462 - 2012 -
The Interpretation of Diffraction Patterns of Two Prototypical Protic Ionic Liquids: a Challenging Task for Classical Molecular Dynamics Simulations Gontrani, Lorenzo; Bodo, Enrico; Alessandro, Triolo; Leonelli, Francesca; D'angelo, Paola; Migliorati, Valentina; Caminiti, Ruggero - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 13024-13032 - issn: 1520-6106 - wos: WOS:000310482800015 (58) - scopus: 2-s2.0-84868227268 (58)
11573/1686532 - 2012 -
Erratum: Crystal polymorphism of hexylammonium chloride and structural properties of its mixtures with water (Journal of Physical Chemistry B (2012) 116: 7 (2104-2113)) Migliorati, V.; Ballirano, P.; Gontrani, L.; Caminiti, R. - 01b Commento, Erratum, Replica e simili
rivista: THE JOURNAL OF PHYSICAL CHEMISTRY. B (Columbus, OH : American Chemical Society, 1997-) pp. 3476-3476 - issn: 1520-5207 - wos: WOS:000301509500045 (0) - scopus: 2-s2.0-84858311441 (0)
11573/448544 - 2012 -
Crystal Polymorphism of Hexylammonium Chloride and Structural Properties of Its Mixtures with Water Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Caminiti, Ruggero - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 2104-2113 - issn: 1520-6106 - wos: WOS:000301156300010 (33) - scopus: 2-s2.0-84857394979 (33)
11573/458278 - 2012 -
Influence of the Second Coordination Shell on the XANES Spectra of the Zn2+Ion in Water and Methanol Migliorati, Valentina; Zitolo, Andrea; Giovanni, Chillemi; D'angelo, Paola - 01a Articolo in rivista
rivista: CHEMPLUSCHEM (Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) pp. 234-239 - issn: 2192-6506 - wos: WOS:000301446500009 (42) - scopus: 2-s2.0-84860238644 (43)
11573/355770 - 2011 -
Theoretical description of Ionic Liquids Bodo, Enrico; Migliorati, Valentina - 02a Capitolo o Articolo
libro: Ionic Liquid / book 1 - (9789533076348)
11573/383588 - 2011 -
X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts D'angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Bodo, Enrico; Giuliana, Aquilanti; Louis Hazemann, Jean; Denis, Testemale; Mancini, Giordano; Caminiti, Ruggero - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 074505- - issn: 0021-9606 - wos: WOS:000294065200029 (32) - scopus: 2-s2.0-80052065963 (34)
11573/387145 - 2011 -
Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution D'angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Giovanni, Chillemi; Magali, Duvail; Pierre, Vitorge; Abadie, Sacha; Riccardo, Spezia - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 4572-4579 - issn: 0020-1669 - wos: WOS:000290246600049 (239) - scopus: 2-s2.0-79955845686 (253)
11573/361612 - 2011 -
Thermal and Structural Properties of Ethylammonium Chloride and Its Mixture with Water Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Alessandro, Triolo; Caminiti, Ruggero - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 4887-4899 - issn: 1520-6106 - wos: WOS:000289824300001 (34) - scopus: 2-s2.0-79955504347 (34)
11573/408749 - 2011 -
Crystal Polymorphism of Propylammonium Chloride and Structural Properties of Its Mixture with Water Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 11805-11815 - issn: 1520-6106 - wos: WOS:000295700700006 (15) - scopus: 2-s2.0-80054684611 (15)
11573/387182 - 2011 -
On the Solvation of the Zn2+ Ion in Methanol: A Combined Quantum Mechanics, Molecular Dynamics, and EXAFS Approach Migliorati, Valentina; Giovanni, Chillemi; D'angelo, Paola - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 8509-8515 - issn: 0020-1669 - wos: WOS:000294242700075 (40) - scopus: 2-s2.0-80052246941 (41)
11573/387126 - 2011 -
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water Migliorati, Valentina; Mancini, Giordano; Giovanni, Chillemi; Zitolo, Andrea; D'angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 4798-4803 - issn: 1089-5639 - wos: WOS:000290126900027 (35) - scopus: 2-s2.0-79955849234 (35)
11573/390748 - 2010 -
Hydration structure of the bromide ion in
aqueous solution D'angelo, Paola; Migliorati, Valentina; L., Guidoni - 02a Capitolo o Articolo
libro: ESRF Highlights 2010 - ()
11573/364683 - 2010 -
Hydration Properties of the Bromide Aqua Ion: the Interplay of First Principle and Classical Molecular Dynamics, and X-ray Absorption Spectroscopy D'angelo, Paola; Migliorati, Valentina; Leonardo, Guidoni - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 4224-4231 - issn: 0020-1669 - wos: WOS:000276939100034 (90) - scopus: 2-s2.0-77951591762 (93)
11573/359165 - 2010 -
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 D'angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Ingmar, Persson - 01a Articolo in rivista
rivista: CHEMISTRY-A EUROPEAN JOURNAL (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 684-692 - issn: 0947-6539 - wos: WOS:000274265100036 (72) - scopus: 2-s2.0-75649106100 (73)
11573/391541 - 2010 -
A COMBINED MOLECULAR DYNAMICS AND X-RAY DIFFRACTION STUDY OF PROTIC IONIC LIQUID/WATER MIXTURES. Migliorati, Valentina; Gontrani, Lorenzo; Caminiti, Ruggero - 04a Atto di comunicazione a congresso
congresso: International Conference on Ionic Liquids for Electrochemical Devices ILED-2. (Roma)
11573/44428 - 2009 -
Structural investigation of lanthanoid coordination: A combined XANES and molecular dynamics study D'angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Mancini, Giordano; Ingmar, Persson; Giovanni, Chillemi - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 10239-10248 - issn: 0020-1669 - wos: WOS:000270987400040 (52) - scopus: 2-s2.0-72949086038 (52)
Migliorati, Valentina; G., Chillemi; G., Mancini; Zitolo, Andrea; S., Tatoli; A., Filipponi; D'angelo, Paola - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICS. CONFERENCE SERIES (Bristol : Institute of Physics Publishing) pp. 012057-012057 - issn: 1742-6588 - wos: WOS:000275152100058 (11) - scopus: 2-s2.0-73349090932 (12)
congresso: 14th International Conference on X-Ray Absorption Fine Structure (XAFS14) (Camerino, ITALY)
11573/363613 - 2008 -
X-ray absorption spectroscopy of hemes and hemeproteins in solution: Multiple scattering analysis D'angelo, Paola; Lapi, Andrea; Migliorati, Valentina; Alessandro, Arcovito; Maurizio, Benfatto; Otello Maria, Roscioni; Wolfram Meyer, Klaucke; Stefano Della, Longa - 01a Articolo in rivista
rivista: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 9905-9918 - issn: 0020-1669 - wos: WOS:000260426700029 (50) - scopus: 2-s2.0-56649100528 (51)
11573/359655 - 2008 -
Integrated experimental and theoretical approach for the structural characterization of Hg2+ aqueous solutions D'angelo, Paola; Migliorati, Valentina; G., Mancini; V., Barone; G., Chillemi - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 84502-84508 - issn: 0021-9606 - wos: WOS:000254047200030 (50) - scopus: 2-s2.0-40149107304 (51)
11573/359167 - 2008 -
A coupled molecular dynamics and XANES data analysis investigation of aqueous cadmium(II) D'angelo, Paola; Migliorati, Valentina; Giordano, Mancini; Giovanni, Chillemi - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 11833-11841 - issn: 1089-5639 - wos: WOS:000260926700037 (52) - scopus: 2-s2.0-57149136207 (53)
11573/381128 - 2008 -
Measurement of x-ray multielectron photoexcitations at the I- K edge D'angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Pavel, Nicolae Viorel - 01a Articolo in rivista
rivista: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 144105-1-144105-6 - issn: 1098-0121 - wos: WOS:000260574300025 (9) - scopus: 2-s2.0-55149122044 (9)
11573/363615 - 2008 -
Structural and Dynamical Properties of the Hg(2+) Aqua Ion: A Molecular Dynamics Study Mancini, G; Sanna, N; Barone, V; Migliorati, Valentina; D'angelo, Paola; Chillemi, G. - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 4694-4702 - issn: 1520-6106 - wos: WOS:000254883500032 (51) - scopus: 2-s2.0-45549095289 (53)