PAOLA D'ANGELO

Full professor


email: p.dangelo@uniroma1.it
phone: 06 4991 3751
building: Cannizzaro
room: 344 III PIano

Paola D'Angelo Ph.D in Chemisrty is Full Professor at the Department of Chemistry, University of Rome Sapienza. She is a Junior research fellow of the Scuola Superiore di Studi Avanzati of the University of Rome Sapienza. Her main areas of research include X-ray Absorption Spectroscopy, Molecular Dynamics Simulations, Coordination and Solution Chemistry, Nuclear Chemistry. In the period 2009-2015 she was a member of the Executive Committee of the International X-Ray Absorption Society and she is currently Secretary and Treasurer of the same Society. Since 2017 she is a member of the Executive Committee of SILS (Società Italiana Luce di Sincrotrone). She is a member of the Review Commitee "Hard condensed matter Structures" at the Elettra Synchrotron Facility of Trieste and since 2018 she is a member of the Review Commitee C11 at European Shyncrothron Radiation Facility (ESRF) of Grenoble . She earned an award from Enimont for the degree curriculum. Her Ph.D thesis won the award "Federchimica - per un futuro intelligente". In 2003 she won the "Scientist Award" of the International XAFS Society. She is Assocaite Editor of the journal Radiation Physics and Chemistry (Elsevier). She is author/co-author of approximately 150 articles published in international journals with peer reviewing and is was invited speaker in more than 50 national and international congerences.

Research products

11573/1708110 - 2024 - Predicting the Thermal Behavior in the Design of Type V Deep Eutectic Solvents: The Combined Role of Polarity and Steric Asymmetry
Mannucci, Giorgia; Teixeira, Gabriel; Sosa, Filipe Hobi Bordon; Palluzzi, Matteo; Busato, Matteo; Coutinho, João A. P.; D’Angelo, Paola - 01a Articolo in rivista
paper: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 2862-2870 - issn: 2168-0485 - wos: (0) - scopus: 2-s2.0-85184888466 (0)

11573/1708108 - 2024 - Hydrophobicity as the key to understanding the nanostructural behavior of eutectic mixtures upon apolar cosolvent addition
Mannucci, Giorgia; Tofoni, Alessandro; Busato, Matteo; D'angelo, Paola - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. - - issn: 0167-7322 - wos: (0) - scopus: 2-s2.0-85179586068 (0)

11573/1691301 - 2023 - Unraveling the Ag+ ion coordination and solvation thermodynamics in the 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid
Busato, M; D'angelo, P; Lapi, A; Tavani, F; Veclani, D; Tolazzi, M; Melchior, A - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 122654- - issn: 0167-7322 - wos: WOS:001052460400001 (0) - scopus: 2-s2.0-85166642907 (1)

11573/1691299 - 2023 - The Complex Story Behind a Deep Eutectic Solvent Formation as Revealed by L-Menthol Mixtures with Butylated Hydroxytoluene Derivatives
Busato, M; Mannucci, G; Rocchi, La; Di Pietro, Me; Capocefalo, A; Zorzi, E; Casu, P; Veclani, D; Castiglione, F; Mele, A; Martinelli, A; Postorino, P; D'angelo, P - 01a Articolo in rivista
paper: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 8988-8999 - issn: 2168-0485 - wos: WOS:001008530200001 (2) - scopus: 2-s2.0-85162882234 (4)

11573/1670635 - 2023 - Structural evolution of the butylated hydroxytoluene/menthol hydrophobic eutectic solvent upon methanol and ethanol cosolvent addition
Mannucci, G.; Busato, M.; Tofoni, A.; D'angelo, P. - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 121302-121307 - issn: 0167-7322 - wos: WOS:000927332400001 (4) - scopus: 2-s2.0-85147095129 (6)

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
paper: RESULTS IN CHEMISTRY (Amsterdam: Elsevier B.V.) pp. - - issn: 2211-7156 - wos: WOS:001150302600001 (0) - scopus: 2-s2.0-85177775606 (0)

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
paper: 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 (0)

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
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 122771- - issn: 0167-7322 - wos: WOS:001079702400001 (0) - scopus: 2-s2.0-85168161144 (1)

11573/1691313 - 2023 - Investigating the High-Temperature Water/MgCl2 Interface through Ambient Pressure Soft X-ray Absorption Spectroscopy
Tavani, Francesco; Busato, Matteo; Veclani, Daniele; Braglia, Luca; Mauri, Silvia; Torelli, Piero; D'angelo, Paola - 01a Articolo in rivista
paper: ACS APPLIED MATERIALS & INTERFACES (Washington, DC : American Chemical Society) pp. 26166-26174 - issn: 1944-8244 - wos: WOS:001014300900001 (1) - scopus: 2-s2.0-85160700578 (3)

11573/1691319 - 2023 - Combining X-ray Absorption and NMR spectroscopies to investigate a chemical reaction in solution
Tavani, Francesco; Del Giudice, Daniele; Di Berto Mancini, Marika; Frateloreto, Federico; Busato, Matteo; Lanzalunga, Osvaldo; Di Stefano, Stefano; D’Angelo, Paola - 01a Articolo in rivista
paper: RADIATION PHYSICS AND CHEMISTRY (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 111199-1-111199-6 - issn: 0969-806X - wos: (0) - scopus: 2-s2.0-85168825418 (0)

11573/1691315 - 2023 - Exploring the Methane to Methanol Oxidation over Iron and Copper Sites in Metal–Organic Frameworks
Tavani, Francesco; Tofoni, Alessandro; D’Angelo, Paola - 01a Articolo in rivista
paper: CATALYSTS (Basel: Molecular Diversity Preservation International) pp. 1338- - issn: 2073-4344 - wos: WOS:001119522500001 (0) - scopus: 2-s2.0-85175432915 (0)

11573/1691320 - 2023 - Insights into structure and reactivity of MOFs by ambient pressure soft X-ray absorption spectroscopy
Tofoni, Alessandro; Tavani, Francesco; Braglia, Luca; Colombo, Valentina; Torelli, Piero; D’Angelo, Paola - 01a Articolo in rivista
paper: RADIATION PHYSICS AND CHEMISTRY (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 111243- - issn: 0969-806X - wos: (0) - scopus: 2-s2.0-85170436115 (0)

11573/1691317 - 2023 - P K-Edge XANES Calculations of Mineral Standards: Exploring the Potential of Theoretical Methods in the Analysis of Phosphorus Speciation
Tofoni, Alessandro; Tavani, Francesco; Persson, Ingmar; D’Angelo, Paola - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 11188-11198 - issn: 0020-1669 - wos: WOS:001020622000001 (0) - scopus: 2-s2.0-85164704224 (0)

11573/1691321 - 2023 - Full Spectroscopic Characterization of the Molecular Oxygen-Based Methane to Methanol Conversion over Open Fe(II) Sites in a Metal-Organic Framework
Tofoni, Alessandro; Tavani, Francesco; Vandone, Marco; Braglia, Luca; Borfecchia, Elisa; Ghigna, Paolo; Stoian, Dragos Costantin; Grell, Toni; Stolfi, Sara; Colombo, Valentina; D'angelo, Paola - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (Washington, DC : American Chemical Society, 1879-) pp. 21040-21052 - issn: 1520-5126 - wos: WOS:001068695700001 (5) - scopus: 2-s2.0-85172712048 (5)

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
paper: 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)

11573/1670830 - 2022 - Solubilization and coordination of the HgCl2 molecule in water, methanol, acetone, and acetonitrile: an X-ray absorption investigation
Busato, Matteo; Fazio, Giuseppe; Tavani, Francesco; Pollastri, Simone; D'angelo, Paola - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 18094-18102 - issn: 1463-9076 - wos: WOS:000830012400001 (0) - scopus: 2-s2.0-85134672833 (1)

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
paper: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 6337-6345 - issn: 2168-0485 - wos: WOS:000800078600018 (9) - scopus: (0)

11573/1640977 - 2022 - On the Role of Water in the Formation of a Deep Eutectic Solvent Based on NiCl2·6H2O and Urea
Busato, Matteo; Tofoni, Alessandro; Mannucci, Giorgia; Tavani, Francesco; Del Giudice, Alessandra; Colella, Andrea; Giustini, Mauro; D'angelo, Paola - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. - - issn: 0020-1669 - wos: WOS:000818965900001 (9) - scopus: 2-s2.0-85131809470 (11)

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
paper: INORGANIC CHEMISTRY (Washington, D.C. : American Chemical Society, c1962-) pp. 17313-17321 - issn: 1520-510X - wos: WOS:000875694100001 (4) - scopus: 2-s2.0-85140627227 (4)

11573/1603364 - 2022 - Two Faces of the Same Coin: Coupling X-Ray Absorption and NMR Spectroscopies to Investigate the Exchange Reaction Between Prototypical Cu Coordination Complexes
Del Giudice, D.; Tavani, F.; Di Berto Mancini, M.; Frateloreto, F.; Busato, M.; Oliveira De Souza, D.; Cenesi, F.; Lanzalunga, O.; Di Stefano, Stefano; D'angelo, P. - 01a Articolo in rivista
paper: 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. - - issn: 0947-6539 - wos: WOS:000730219700001 (8) - scopus: 2-s2.0-85121358737 (6)

11573/1670870 - 2022 - Following a Silent Metal Ion: A Combined X-ray Absorption and Nuclear Magnetic Resonance Spectroscopic Study of the Zn2+ Cation Dissipative Translocation between Two Different Ligands
Frateloreto, Federico; Tavani, Francesco; Di Berto Mancini, Marika; Del Giudice, Daniele; Capocasa, Giorgio; Kieffer, Isabelle; Lanzalunga, Osvaldo; Di Stefano, Stefano; D'angelo, Paola - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS (Washington, DC: American Chemical Society) pp. 5522-5529 - issn: 1948-7185 - wos: WOS:000819338000001 (9) - scopus: 2-s2.0-85133100528 (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
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 119801- - issn: 0167-7322 - wos: WOS:000862385500007 (4) - scopus: 2-s2.0-85134586037 (4)

11573/1670868 - 2022 - Caught while Dissolving: Revealing the Interfacial Solvation of the Mg2+ Ions on the MgO Surface
Tavani, Francesco; Busato, Matteo; Braglia, Luca; Mauri, Silvia; Torelli, Piero; D'angelo, Paola - 01a Articolo in rivista
paper: ACS APPLIED MATERIALS & INTERFACES (Washington, DC : American Chemical Society) pp. 38370-38378 - issn: 1944-8244 - wos: WOS:000848081300001 (5) - scopus: 2-s2.0-85136711634 (7)

11573/1577169 - 2021 - Catching the Reversible Formation and Reactivity of Surface Defective Sites in Metal-Organic Frameworks: An Operando Ambient Pressure-NEXAFS Investigation
Braglia, L.; Tavani, F.; Mauri, S.; Edla, R.; Krizmancic, D.; Tofoni, A.; Colombo, V.; D'angelo, P.; Torelli, P. - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS (Washington, DC: American Chemical Society) pp. 9182-9187 - issn: 1948-7185 - wos: WOS:000702017200036 (13) - scopus: 2-s2.0-85116004704 (14)

11573/1521887 - 2021 - Transition from molecular- to nano-scale segregation in a deep eutectic solvent - water mixture
Busato, M.; Di Lisio, V.; Del Giudice, A.; Tomai, P.; Migliorati, V.; Galantini, L.; Gentili, A.; Martinelli, A.; D'angelo, P. - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 115747- - issn: 0167-7322 - wos: WOS:000643580500046 (22) - scopus: 2-s2.0-85101922149 (21)

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
paper: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 12252-12261 - issn: 2168-0485 - wos: WOS:000696378200022 (11) - scopus: 2-s2.0-85115187109 (17)

11573/1552553 - 2021 - Coordination of the Co2+ and Ni2+ Ions in Tf2N- Based Ionic Liquids: A Combined X-ray Absorption and Molecular Dynamics Study
Busato, Matteo; Lapi, Andrea; D'angelo, Paola; Melchior, Andrea - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. - - issn: 1520-6106 - wos: WOS:000668345100023 (11) - scopus: 2-s2.0-85108664836 (15)

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
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 11746-11754 - issn: 1463-9076 - wos: WOS:000649752200001 (16) - scopus: 2-s2.0-85107010004 (15)

11573/1559687 - 2021 - Hydrophobic Eutectic Solvent with Antioxidant Properties: Application for the Dispersive Liquid-Liquid Microextraction of Fat-Soluble Micronutrients from Fruit Juices
Dal Bosco, C.; Di Lisio, V.; D'angelo, P.; Gentili, A. - 01a Articolo in rivista
paper: ACS SUSTAINABLE CHEMISTRY & ENGINEERING (Washington DC: American Chemical Society, c2013-) pp. 8170-8178 - issn: 2168-0485 - wos: WOS:000664614900016 (18) - scopus: 2-s2.0-85108555459 (20)

11573/1576500 - 2021 - Application of a low transition temperature mixture for the dispersive liquid–liquid microextraction of illicit drugs from urine samples
Gallo, Valeria; Tomai, Pierpaolo; Di Lisio, Valerio; Dal Bosco, Chiara; D'angelo, Paola; Fanali, Chiara; D'orazio, Giovanni; Silvestro, Ilaria; Pico, Yolanda; Gentili, Alessandra - 01a Articolo in rivista
paper: MOLECULES (Basel: MDPI Berlin: Springer, 1996-) pp. - - issn: 1420-3049 - wos: WOS:000695750900001 (11) - scopus: 2-s2.0-85114101518 (14)

11573/1603368 - 2021 - Estimating a Set of Pure XANES Spectra from Multicomponent Chemical Mixtures Using a Transformation Matrix-Based Approach
Martini, A.; Guda, A. A.; Guda, S. A.; Dulina, A.; Tavani, F.; D'angelo, P.; Borfecchia, E.; Soldatov, A. V. - 04b Atto di convegno in volume
conference: Meeting of the Italian Synchrotron Radiation Society, SILS 2019 (ita)
book: Springer Proceedings in Physics - (978-3-030-72004-9; 978-3-030-72005-6)

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
paper: 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 (11) - scopus: 2-s2.0-85105964894 (10)

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
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. - - issn: 0167-7322 - wos: WOS:000636646200024 (12) - scopus: 2-s2.0-85100650045 (14)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 10674-10685 - issn: 0020-1669 - wos: WOS:000675430900060 (9) - scopus: 2-s2.0-85111082584 (9)

11573/1603362 - 2021 - Structural and mechanistic insights into low-Temperature CO oxidation over a prototypical high entropy oxide by Cu L-edge operando soft X-ray absorption spectroscopy
Tavani, F.; Fracchia, M.; Tofoni, A.; Braglia, L.; Jouve, A.; Morandi, S.; Manzoli, M.; Torelli, P.; Ghigna, P.; D'angelo, P. - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 26575-26584 - issn: 1463-9076 - wos: WOS:000721515900001 (16) - scopus: 2-s2.0-85120728010 (16)

11573/1476321 - 2021 - Direct structural and mechanistic insights into fast bimolecular chemical reactions in solution through a coupled XAS/UV-Vis multivariate statistical analysis
Tavani, Francesco; Capocasa, Giorgio; Martini, Andrea; Sessa, Francesco; Di Stefano, Stefano; Lanzalunga, Osvaldo; D'angelo, Paola - 01a Articolo in rivista
paper: DALTON TRANSACTIONS (Royal Society of Chemistry:Thomas Graham House, Science Park, Cambridge CB4 0WF United Kingdom:011 44 1223 432360, EMAIL: sales@rsc.org, INTERNET: http://www.rsc.org, http://www.chensoc.org, Fax: 011 44 1223 423429) pp. 131-142 - issn: 1477-9226 - wos: WOS:000605666100014 (8) - scopus: 2-s2.0-85098985805 (9)

11573/1490551 - 2021 - Activation of C-H bonds by a nonheme iron(iv)-oxo complex: mechanistic evidence through a coupled EDXAS/UV-Vis multivariate analysis
Tavani, Francesco; Capocasa, Giorgio; Martini, Andrea; Sessa, Francesco; Di Stefano, Stefano; Lanzalunga, Osvaldo; D'angelo, Paola - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 1188-1196 - issn: 1463-9076 - wos: WOS:000610150200041 (8) - scopus: 2-s2.0-85100039889 (9)

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
paper: INORGANIC CHEMISTRY (Washington, D.C. : American Chemical Society, c1962-) pp. 17291-17302 - issn: 1520-510X - wos: WOS:000599190300058 (24) - scopus: 2-s2.0-85097585193 (23)

11573/1395941 - 2020 - Solvation of Co2+ ion in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid: a molecular dynamics and X-ray absorption study
Busato, Matteo; D'angelo, Paola; Lapi, Andrea; Tolazzi, Marilena; Melchior, Andrea - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. - - issn: 0167-7322 - wos: WOS:000515196600019 (17) - scopus: 2-s2.0-85076225133 (20)

11573/1470421 - 2020 - Lithiation Mechanism in High-Entropy Oxides as Anode Materials for Li-Ion Batteries: An Operando XAS Study
Ghigna, P; Airoldi, L; Fracchia, M; Callegari, D; Anselmi-Tamburini, U; D'angelo, P; Pianta, N; Ruffo, R; Cibin, G; De Souza, Danilo Oliveira; Quartarone, E - 01a Articolo in rivista
paper: ACS APPLIED MATERIALS & INTERFACES (Washington, DC : American Chemical Society) pp. 50344-50354 - issn: 1944-8244 - wos: WOS:000592481300013 (73) - scopus: 2-s2.0-85096080009 (79)

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
paper: 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)

11573/1395934 - 2020 - Deciphering copper coordination in the mammalian prion protein amyloidogenic domain
Salzano, Gian Matteo; Brennich, Martha; Mancini, Giordano; Tran, Thanh Hoa; Legname, Giulia; D'angelo, Paola; Giachin, Gabriele - 01a Articolo in rivista
paper: BIOPHYSICAL JOURNAL (New York: Published for the Biophysical Society by the Rockefeller University Press) pp. 676-687 - issn: 0006-3495 - wos: WOS:000511291400015 (11) - scopus: 2-s2.0-85077915484 (11)

11573/1438571 - 2020 - Direct Mechanistic Evidence for a Nonheme Complex Reaction through a Multivariate XAS Analysis
Tavani, F.; Martini, A.; Capocasa, G.; Di Stefano, Stefano; Lanzalunga, O.; D'angelo, P. - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 9979-9989 - issn: 0020-1669 - wos: WOS:000552287100052 (10) - scopus: 2-s2.0-85087640152 (13)

11573/1453030 - 2020 - Multivariate curve resolution analysis of operando XAS data for the investigation of the lithiation mechanisms in high entropy oxides
Tavani, Francesco; Fracchia, Martina; Pianta, Niccolo; Ghigna, Paolo; Quartarone, Eliana; D'angelo, Paola - 01a Articolo in rivista
paper: 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:000596937600001 (23) - scopus: 2-s2.0-85091510182 (26)

11573/1562132 - 2019 - Compression of liquid Ni and Co under extreme conditions explored by x-ray absorption spectroscopy
Boccato, S.; Torchio, R.; D'angelo, P.; Trapananti, A.; Kantor, I.; Recoules, V.; Anzellini, S.; Morard, G.; Irifune, T.; Pascarelli, S. - 01a Articolo in rivista
paper: PHYSICAL REVIEW. B (Ridge NY: American Physical Society, [2016-]) pp. 180101-180101 - issn: 2469-9950 - wos: WOS:000495453600001 (6) - scopus: 2-s2.0-85075493461 (9)

11573/1289484 - 2019 - Solvation of Zn2+ ion in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids: a molecular dynamics and X-ray absorption study
Busato, Matteo; D'angelo, Paola; Melchior, Andrea - 01a Articolo in rivista
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 6958-6969 - issn: 1463-9076 - wos: WOS:000464323400015 (21) - scopus: 2-s2.0-85063651686 (21)

11573/1236047 - 2019 - Coupled X-ray absorption/UV-vis monitoring of fast oxidation reactions involving a nonheme Iron-Oxo complex
Capocasa, Giorgio; Sessa, Francesco; Tavani, Francesco; Monte, Manuel; Olivo, Giorgio; Pascarelli, Sakura; Lanzalunga, Osvaldo; Di Stefano, Stefano; D'angelo, Paola - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (Washington, DC : American Chemical Society, 1879-) pp. 2299-2304 - issn: 1520-5126 - wos: WOS:000459222100021 (25) - scopus: 2-s2.0-85061493425 (26)

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
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 13058-13069 - issn: 1463-9076 - wos: WOS:000472214000030 (9) - scopus: 2-s2.0-85067953602 (9)

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
paper: CHEMICAL PHYSICS LETTERS. X (Amsterdam: Elsevier B.V.) pp. - - issn: 2590-1419 - wos: (0) - scopus: 2-s2.0-85060738573 (66)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 14551-14559 - issn: 0020-1669 - wos: WOS:000494894400029 (13) - scopus: 2-s2.0-85073815784 (14)

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
paper: 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)

11573/1322356 - 2019 - A low transition temperature mixture for the dispersive liquid-liquid microextraction of pesticides from surface waters
Tomai, Pierpaolo; Lippiello, Anna; D’Angelo, Paola; Persson, Ingmar; Martinelli, Andrea; Di Lisio, Valerio; Curini, Roberta; Fanali, Chiara; Gentili, Alessandra - 01a Articolo in rivista
paper: JOURNAL OF CHROMATOGRAPHY A (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: 0021-9673 - wos: WOS:000500389200001 (34) - scopus: 2-s2.0-85069561277 (36)

11573/1091141 - 2018 - Structure and atomic correlations in molecular systems probed by XAS reverse Monte Carlo refinement
Di Cicco, Andrea; Iesari, Fabio; Trapananti, Angela; D'angelo, Paola; Filipponi, Adriano - 01a Articolo in rivista
paper: 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. 1-9 - issn: 0021-9606 - wos: WOS:000427030500024 (10) - scopus: 2-s2.0-85043307042 (13)

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
paper: 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 (36) - scopus: 2-s2.0-85044121443 (37)

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
paper: 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 (18) - scopus: 2-s2.0-85036589207 (19)

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
paper: 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
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 2662-2675 - issn: 1463-9076 - wos: WOS:000423505500053 (19) - scopus: 2-s2.0-85041189166 (21)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 14013-14022 - issn: 0020-1669 - wos: WOS:000416297200041 (8) - scopus: 2-s2.0-85034654033 (8)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 6214-6224 - issn: 0020-1669 - wos: WOS:000402950600022 (40) - scopus: 2-s2.0-85020272672 (44)

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
paper: 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
paper: 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 (15) - scopus: 2-s2.0-85018841900 (18)

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
paper: 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 (28) - scopus: 2-s2.0-85022051993 (30)

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
paper: 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 (55) - scopus: 2-s2.0-84969577642 (56)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 6703-6711 - issn: 0020-1669 - wos: WOS:000379455900044 (29) - scopus: 2-s2.0-84979021132 (29)

11573/930010 - 2016 - Hydrated and solvated Tin(II) ions in solution and the solid state, and a coordination chemistry overview of the d10s2 metal ions
Persson, Ingmar; D'angelo, Paola; Lundberg, Daniel - 01a Articolo in rivista
paper: 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. 18583-18592 - issn: 0947-6539 - wos: WOS:000390600900039 (11) - scopus: 2-s2.0-85000416240 (13)

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
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 16544-16554 - issn: 1463-9076 - wos: WOS:000381056500057 (44) - scopus: 2-s2.0-84975105906 (46)

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
paper: 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)

11573/874505 - 2016 - Lutetium(III) aqua ion: on the dynamical structure of the heaviest lanthanoid hydration complex
Sessa, Francesco; Spezia, Riccardo; D'angelo, Paola - 01a Articolo in rivista
paper: JOURNAL OF CHEMICAL PHYSICS ONLINE ([Woodbury, N.Y.] : American Institute of Physics) pp. - - issn: 1089-7690 - wos: WOS:000377712700044 (16) - scopus: 2-s2.0-84971462247 (17)

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
paper: 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 (42) - scopus: 2-s2.0-84924565505 (44)

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
paper: 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 (32) - scopus: 2-s2.0-84946854591 (33)

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
paper: SCIENTIFIC REPORTS (London: Springer Nature London: Nature Publishing Group) pp. - - issn: 2045-2322 - wos: WOS:000363029900002 (34) - scopus: 2-s2.0-84944754712 (36)

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
paper: 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
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 2464-2474 - issn: 1463-9076 - wos: WOS:000346906700022 (31) - 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
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 16443-16453 - issn: 1463-9076 - wos: WOS:000356396300026 (37) - scopus: 2-s2.0-84934945636 (38)

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
paper: 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 (24) - scopus: 2-s2.0-84952361107 (25)

11573/613990 - 2014 - Distal-proximal crosstalk in the heme binding pocket of the NO sensor DNR
Cutruzzola', Francesca; Alessandro, Arcovito; Giardina, Giorgio; Stefano Della, Longa; D'angelo, Paola; Rinaldo, Serena - 01a Articolo in rivista
paper: BIOMETALS (Rapid Science Publishers:2-6 Boundary Row, London SE1 8HN United Kingdom:011 44 207 9407500, EMAIL: rapidcom@vax.oxford.ac.uk, Fax: 011 44 207 8650027) pp. 763-773 - issn: 0966-0844 - wos: WOS:000339878700016 (13) - scopus: 2-s2.0-84905093005 (13)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 9778-9784 - issn: 0020-1669 - wos: WOS:000341747900035 (10) - scopus: 2-s2.0-84919722797 (12)

11573/634985 - 2014 - X-ray absorption fine structure studies on human prion protein non-octarepeat copper binding site
Giachin, Gabriele; Salzano, Giulia; Benetti, Federico; D'angelo, Paola; Legname, Giuseppe - 04c Atto di convegno in rivista
paper: PRION (Austin, Tex. : Landes Bioscience, 2007-) pp. 47-47 - issn: 1933-6896 - wos: WOS:000340614900105 (0) - scopus: (0)
conference: International Prion Congress—Prion 2014 (Trieste, Italy)

11573/634983 - 2014 - Unraveling halide hydration: A high dilution approach
Migliorati, Valentina; Sessa, Francesco; Giuliana, Aquilanti; D'angelo, Paola - 01a Articolo in rivista
paper: 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 (49) - scopus: 2-s2.0-84905658381 (50)

11573/556366 - 2014 - Structural characterization of ionic liquids by X-ray absorption spectroscopy
Zitolo, Andrea; D'angelo, Paola - 02a Capitolo o Articolo
book: The structure of ionic liquids - (9783319016979; 9783319016986)

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
paper: 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)

11573/532892 - 2013 - Hydration properties and ionic radii of actinide(III) ions in aqueous solution
D'angelo, Paola; Fausto, Martelli; Riccardo, Spezia; Adriano, Filipponi; Melissa A., Denecke - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 10318-10324 - issn: 0020-1669 - wos: WOS:000330098300016 (71) - scopus: 2-s2.0-84884230614 (76)

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
paper: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 8684-8691 - issn: 1463-9076 - wos: WOS:000319006100025 (15) - scopus: 2-s2.0-84878319685 (16)

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
paper: 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 (49) - scopus: 2-s2.0-84886941120 (49)

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
paper: RSC ADVANCES (London: Royal Society of Chemistry) pp. 21118-21126 - issn: 2046-2069 - wos: WOS:000325950600200 (23) - scopus: 2-s2.0-84886920324 (23)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 1141-1150 - issn: 0020-1669 - wos: WOS:000314007500072 (39) - scopus: 2-s2.0-84872582950 (38)

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
paper: 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)

11573/458290 - 2012 - Effects of the pathological Q212P mutation on human prion protein non-octarepeat copper binding site
Benetti, F.; Della Longa, Stefano; Arcovito, Alessandro; Mancini, Giordano; Zitolo, Andrea; Chillemi, Giovanni; Giachin, Gabriele; Legname, Giuseppe; D'angelo, Paola - 04c Atto di convegno in rivista
paper: PRION (Austin, Tex. : Landes Bioscience, 2007-) pp. 81-82 - issn: 1933-6896 - wos: WOS:000304234300167 (0) - scopus: (0)
conference: International Prion Congress Prion 2012 (Amsterdam, The Netherlands)

11573/493177 - 2012 - Effects of the pathological Q212P mutation on human prion protein non-octarepeat copper-binding site
D'angelo, Paola; Della Longa, Stefano; Arcovito, Alessandro; Mancini, Giordano; Zitolo, Andrea; Chillemi, Giovanni; Giachin, Gabriele; Legname, Giuseppe; Benetti, Federico - 01a Articolo in rivista
paper: BIOCHEMISTRY (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. 6068-6079 - issn: 0006-2960 - wos: WOS:000307159400004 (30) - scopus: 2-s2.0-84864713711 (30)

11573/493154 - 2012 - Hydration of Lanthanoids(III) and Actinoids(III): An Experimental/Theoretical Saga
D'angelo, Paola; Riccardo, Spezia - 01a Articolo in rivista
paper: 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. 11162-11178 - issn: 0947-6539 - wos: WOS:000308310100001 (107) - scopus: 2-s2.0-84865506550 (116)

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
paper: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (Guilderland, NY: Adenine Press) pp. 269-279 - issn: 0739-1102 - wos: WOS:000306119000003 (4) - scopus: 2-s2.0-84863868659 (4)

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
paper: 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 (57) - scopus: 2-s2.0-84868227268 (57)

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
paper: CHEMPLUSCHEM (Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) pp. 234-239 - issn: 2192-6506 - wos: WOS:000301446500009 (39) - scopus: 2-s2.0-84860238644 (40)

11573/458264 - 2012 - Unravelling the Hydration Structure of ThX4 (X = Br, Cl) Water Solutions by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy
Riccardo, Spezia; Beuchat, Cesar; Rodolphe, Vuilleumier; D'angelo, Paola; Laura, Gagliardi - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 6465-6475 - issn: 1520-6106 - wos: WOS:000304888600027 (24) - scopus: 2-s2.0-84861849952 (25)

11573/441049 - 2012 - Unusual Heme Binding Properties of the Dissimilative Nitrate Respiration Regulator, a Bacterial Nitric Oxide Sensor
Rinaldo, Serena; Castiglione, Nicoletta; Giardina, Giorgio; Caruso, Manuela; Alessandro, Arcovito; S., Della Longa; D'angelo, Paola; Cutruzzola', Francesca - 01a Articolo in rivista
paper: ANTIOXIDANTS & REDOX SIGNALING (Mary Ann Liebert Incorporated:2 Madison Avenue:Larchmont, NY 10538:(914)834-3100, EMAIL: info@liebertpub.com, swilliams@liebertpub.com, INTERNET: http://www.liebertpub.com, Fax: (914)834-3688) pp. 1178-1189 - issn: 1523-0864 - wos: WOS:000308405800002 (21) - scopus: 2-s2.0-84865627725 (23)

11573/493167 - 2012 - X-ray absorption study of the solvation structure of Cu 2+ in methanol and dimethyl sulfoxide
Zitolo, Andrea; Giovanni, Chillemi; D'angelo, Paola - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 8827-8833 - issn: 0020-1669 - wos: WOS:000307606200028 (20) - scopus: 2-s2.0-84865254095 (21)

11573/387166 - 2011 - Structure and function of the DNR transcription factor, a master regulator of nitric oxide homeostasis in Pseudomonas aeruginosa
Cutruzzola', Francesca; Rinaldo, Serena; Giardina, Giorgio; Castiglione, Nicoletta; Caruso, M.; Arcovito, A.; Della Longa, S.; D'angelo, Paola - 04c Atto di convegno in rivista
paper: THE FEBS JOURNAL (Blackwell Pub., Oxford, UK) pp. 166-166 - issn: 1742-4658 - wos: WOS:000292333101293 (0) - scopus: (0)
conference: 36th FEBS Congress, Biochemistry for Tomorrow's Medicine (Lingotto Conference Center, Torino, Italy)

11573/400321 - 2011 - Structural characterization of zinc(II) chloride in aqueous solution and in the protic ionic liquid ethyl ammonium nitrate by x-ray absorption spectroscopy
D'angelo, Paola; Zitolo, Andrea; Ceccacci, Francesca; Caminiti, Ruggero; Giuliana, Aquilanti - 01a Articolo in rivista
paper: 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. 154509-154509-7 - issn: 0021-9606 - wos: WOS:000296516800039 (32) - scopus: 2-s2.0-80155131563 (34)

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
paper: 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 (29) - scopus: 2-s2.0-80052065963 (31)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 4572-4579 - issn: 0020-1669 - wos: WOS:000290246600049 (201) - scopus: 2-s2.0-79955845686 (211)

11573/386783 - 2011 - Structural flexibility and role of vicinal 2-thienyl rings in 2,3-dicyano-5,6-di(2-thienyl)-1,4-pyrazine, [(CN)2Th2Pyz], Its palladium(II) complex [(CN)2Th2Pyz(PdCl 2)2], and the related pentametallic pyrazinoporphyrazines [(PdCl2)4Th8TPyzPzM] (M = Mg II(H2O), ZnII)
Donzello, Maria Pia; Giorgia De, Mori; Viola, Elisa; Ercolani, Claudio; Bodo, Enrico; Mannina, Luisa; Donatella, Capitani; Corrado, Rizzoli; Gontrani, Lorenzo; Giuliana, Aquilanti; M., Kadish Karl; D'angelo, Paola - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 12116-12125 - issn: 0020-1669 - wos: WOS:000297274600034 (8) - scopus: 2-s2.0-82355190396 (7)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 8509-8515 - issn: 0020-1669 - wos: WOS:000294242700075 (39) - scopus: 2-s2.0-80052246941 (40)

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
paper: 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 (34) - scopus: 2-s2.0-79955849234 (34)

11573/387179 - 2011 - Polarizable model for ion hydration: An interplay between experiment and theory
R., Spezia; D'angelo, Paola - 04c Atto di convegno in rivista
paper: ABSTRACTS OF PAPERS - AMERICAN CHEMICAL SOCIETY (Washington, DC: American Chemical Society) pp. 315-315 - issn: 0065-7727 - wos: WOS:000291982804239 (0) - scopus: (0)
conference: 241st National Meeting and Exposition of the American-Chemical-Society (ACS) (Anaheim, CA)

11573/226895 - 2010 - Unusual proximal heme pocket geometry in the deoxygenated Thermobifida fusca: A combined spectroscopic investigation
Alessandro, Arcovito; Bonamore, Alessandra; Jean Louis, Hazemann; Boffi, Alberto; D'angelo, Paola - 01a Articolo in rivista
paper: BIOPHYSICAL CHEMISTRY (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. 1-7 - issn: 0301-4622 - wos: WOS:000274709900001 (4) - scopus: 2-s2.0-75549089304 (4)

11573/229475 - 2010 - Polarized X-ray Absorption Near-Edge Structure Spectroscopy of Neuroglobin and Myoglobin Single Crystals
Alessandro, Arcovito; Chiara, Ardiccioni; Michele, Cianci; D'angelo, Paola; Vallone, Beatrice; Stefano Della, Longa - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 13223-13231 - issn: 1520-6106 - wos: WOS:000282855100024 (13) - scopus: 2-s2.0-77958026039 (13)

11573/390533 - 2010 - Local structure of ionic liquids probed by EXFAS
D'angelo, Paola - 04a Atto di comunicazione a congresso
conference: Ionic Liquids for electronocs devices (Roma)

11573/390748 - 2010 - Hydration structure of the bromide ion in aqueous solution
D'angelo, Paola; Migliorati, Valentina; L., Guidoni - 02a Capitolo o Articolo
book: 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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 4224-4231 - issn: 0020-1669 - wos: WOS:000276939100034 (75) - scopus: 2-s2.0-77951591762 (79)

11573/44676 - 2010 - Dynamic Investigation of Protein Metal Active Sites: Interplay of XANES and Molecular Dynamics Simulations
D'angelo, Paola; Stefano Della, Longa; Alessandro, Arcovito; Anselmi, Massimiliano; Di Nola, Alfredo; Giovanni, Chillemi - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 14901-14909 - issn: 0002-7863 - wos: WOS:000283403200039 (18) - scopus: 2-s2.0-77958481880 (18)

11573/365268 - 2010 - Fe-heme structure in Cu,Zn superoxide dismutase from Haemophilus ducreyi by X-ray Absorption Spectroscopy
D'angelo, Paola; Zitolo, Andrea; Francesca, Pacello; Giordano, Mancini; Olivier, Proux; J. L., Hazemanne; D., Desideri; Battistoni, - 01a Articolo in rivista
paper: ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (Attuale:ELSEVIER SCIENCE INC, 360 PARK AVE SOUTH, NEW YORK, USA, NY, 10010-1710 Academic Press Incorporated:6277 Sea Harbor Drive:Orlando, FL 32887:(800)543-9534, (407)345-4100, EMAIL: ap@acad.com, INTERNET: http://www.idealibrary.com, Fax: (407)352-3445) pp. 43-49 - issn: 0003-9861 - wos: WOS:000278070300006 (3) - scopus: 2-s2.0-77952954870 (3)

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
paper: 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 (68) - scopus: 2-s2.0-75649106100 (70)

11573/44566 - 2010 - Structural Study of the N,N '-Dimethylpropyleneurea Solvated Lanthanoid(III) Ions in Solution and Solid State with an Analysis of the Ionic Radii of Lanthanoid(III) Ions
Daniel, Lundberg; Ingmar, Persson; Lars, Eriksson; D'angelo, Paola; Simone De, Panfilis - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 4420-4432 - issn: 0020-1669 - wos: WOS:000277383900006 (64) - scopus: 2-s2.0-77952124281 (66)

11573/360818 - 2010 - Cuprizone neurotoxicity, copper deficiency and neurodegeneration
Federico, Benetti; Marcello, Ventura; Benedetta, Salmini; Stefano, Ceola; Donatella, Carbonera; Stefano, Mammi; Zitolo, Andrea; D'angelo, Paola; Emanuela, Urso; Michele, Maffia; B., Salvato; E., Spsni - 01a Articolo in rivista
paper: NEUROTOXICOLOGY (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. 509-517 - issn: 0161-813X - wos: WOS:000281939200013 (52) - scopus: 2-s2.0-77956227296 (56)

11573/44568 - 2010 - The solvent shell structure of aqueous iodide: X-ray absorption spectroscopy and classical, hybrid QM/MM and full quantum molecular dynamics simulations
V. T., Pham; I., Tavernelli; C. J., Milne; R. M., Van Der Veen; D'angelo, Paola; C. H., Bressler; M., Chergui - 01a Articolo in rivista
paper: CHEMICAL PHYSICS (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. 24-29 - issn: 0301-0104 - wos: WOS:000277700900004 (53) - scopus: 2-s2.0-77953231161 (57)

11573/44756 - 2010 - X-ray absorption spectroscopy study of the solvation structure of zinc(II) in dimethyl sulfoxide solution Context Sensitive Links Context Sensitive Links
Zitolo, Andrea; D'angelo, Paola - 01a Articolo in rivista
paper: 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. 113-116 - issn: 0009-2614 - wos: WOS:000282698700023 (11) - scopus: 2-s2.0-77957851984 (10)

11573/44527 - 2009 - Structure and dynamics of hemeproteins using X-ray Absorption Spectroscopy
Alessandro, Arcovito; D'angelo, Paola; S., Della Longa - 01a Articolo in rivista
paper: JOURNAL OF PHYSICS. CONFERENCE SERIES (Bristol : Institute of Physics Publishing) pp. 012195-012195 - issn: 1742-6588 - wos: WOS:000275152100196 (1) - scopus: 2-s2.0-73449124411 (0)

11573/390547 - 2009 - Combined techniques in the structural investigation of disordered systems: the symbiosis XAS-Molecular Dynamics
D'angelo, Paola - 04a Atto di comunicazione a congresso
conference: Congresso Nazionale SCI 2009 (Sorrento)

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
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 10239-10248 - issn: 0020-1669 - wos: WOS:000270987400040 (49) - scopus: 2-s2.0-72949086038 (49)

11573/44429 - 2009 - What first principles molecular dynamics can tell us about EXAFS spectroscopy of radioactive heavy metal cations in water
Magali, Duvail; D'angelo, Paola; Marie Pierre, Gaigeot; Pierre, Vitorge; Riccardo, Spezia - 01a Articolo in rivista
paper: RADIOCHIMICA ACTA (R Oldenbourg Verlag:Rosenheimerstrasse 145, D 81671 Munich Germany:011 49 89 45051229, INTERNET: http://www.oldenbourg.de, Fax: 011 49 89 45051207) pp. 339-346 - issn: 0033-8230 - wos: WOS:000268640800002 (21) - scopus: 2-s2.0-68949127172 (22)
conference: 3rd Workshop on Chemical Speciation (Montpellier, FRANCE)

11573/359146 - 2009 - Ion hydration in high-density water
Migliorati, Valentina; G., Chillemi; G., Mancini; Zitolo, Andrea; S., Tatoli; A., Filipponi; D'angelo, Paola - 01a Articolo in rivista
paper: 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)
conference: 14th International Conference on X-Ray Absorption Fine Structure (XAFS14) (Camerino, ITALY)

11573/44529 - 2009 - Molecular dynamics to rationalize EXAFS experiments: A dynamical model explaining hydration behaviour across the lanthanoid(III) series
Riccardo, Spezia; Magali, Duvail; Pierre, Vitorge; D'angelo, Paola - 01a Articolo in rivista
paper: JOURNAL OF PHYSICS. CONFERENCE SERIES (Bristol : Institute of Physics Publishing) pp. 012056-012056 - issn: 1742-6588 - wos: WOS:000275152100057 (16) - scopus: 2-s2.0-73349140194 (16)

11573/44486 - 2009 - XAS study of the active site of a bacterial heme-sensor
S., Della Longa; A., Arcovito; Brunori, Maurizio; Castiglione, Nicoletta; Cutruzzola', Francesca; D'angelo, Paola; Giardina, Giorgio; Rinaldo, Serena - 01a Articolo in rivista
paper: JOURNAL OF PHYSICS. CONFERENCE SERIES (Bristol : Institute of Physics Publishing) pp. 012202-012202 - issn: 1742-6588 - wos: WOS:000275152100203 (1) - scopus: 2-s2.0-73449111238 (1)

11573/44523 - 2008 - An X-ray diffraction and X-ray absorption spectroscopy joint study of neuroglobin
Arcovito, Alessandro; Moschetti, Tommaso; D'angelo, Paola; Mancini, Giordano; Vallone, Beatrice; Brunori, Maurizio; Stefano Della, Longa - 01a Articolo in rivista
paper: ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (Attuale:ELSEVIER SCIENCE INC, 360 PARK AVE SOUTH, NEW YORK, USA, NY, 10010-1710 Academic Press Incorporated:6277 Sea Harbor Drive:Orlando, FL 32887:(800)543-9534, (407)345-4100, EMAIL: ap@acad.com, INTERNET: http://www.idealibrary.com, Fax: (407)352-3445) pp. 7-13 - issn: 0003-9861 - wos: WOS:000257099500002 (45) - scopus: 2-s2.0-44949254924 (48)

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
paper: 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
paper: 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 (47) - scopus: 2-s2.0-40149107304 (48)

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
paper: 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 (49) - scopus: 2-s2.0-57149136207 (49)

11573/44520 - 2008 - High-Energy X-ray Absorption Spectroscopy: A New Tool for Structural Investigations of Lanthanoids and Third-Row Transition Elements
D'angelo, Paola; Simone De, Panfilis; Adriano, Filipponi; Ingmar, Persson - 01a Articolo in rivista
paper: 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. 3045 --3055 - issn: 0947-6539 - wos: WOS:000254872600011 (53) - scopus: 2-s2.0-53849102558 (51)

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
paper: 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 (8) - scopus: 2-s2.0-55149122044 (8)

11573/44521 - 2008 - Hydration of Lanthanoid(III) Ions in Aqueous Solution and Crystalline Hydrates Studied by EXAFS Spectroscopy and Crystallography: The Myth of the Gadolinium Break
Ingmar, Persson; D'angelo, Paola; Simone De, Panfilis; Magnus, Sandstrom; Lars, Eriksson - 01a Articolo in rivista
paper: 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. 3056-3066 - issn: 0947-6539 - wos: WOS:000254872600012 (235) - scopus: 2-s2.0-53849113308 (240)

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
paper: 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 (48) - scopus: 2-s2.0-45549095289 (49)

11573/44425 - 2007 - Hemeproteins: Recent Advances in Quantitative XANES Analysis
A., Arcovito; M., Benfatto; S., Della Longa; D'angelo, Paola - 04c Atto di convegno in rivista
paper: AIP CONFERENCE PROCEEDINGS (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. 306-310 - issn: 0094-243X - wos: (0) - scopus: 2-s2.0-33947365540 (3)
conference: X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference (Stanford, CA; United States)

11573/44427 - 2007 - On the complex formation of iron(III) bromide in the space-demanding solvent N,N '-dimethylpropyleneurea and the structure of the trisbromoiron(III) complex in solution and crystalline state
D., Lundberg; A. S., Ullstrm; D'angelo, Paola; D., Warminska; I., Persson - 01a Articolo in rivista
paper: INORGANICA CHIMICA ACTA (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 Editore precedente:Prof Ugo Croatto Luogo pubbl. Padova Ultimo luogo pubblicazione: Lausanne.) pp. 2744-2750 - issn: 0020-1693 - wos: WOS:000247165200028 (12) - scopus: 2-s2.0-34247534458 (14)

11573/45336 - 2007 - 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
D., Lundberg; A. S., Ullstrm; D'angelo, Paola; I., Persson - 01a Articolo in rivista
paper: INORGANICA CHIMICA ACTA (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 Editore precedente:Prof Ugo Croatto Luogo pubbl. Padova Ultimo luogo pubblicazione: Lausanne.) pp. 1809-1818 - issn: 0020-1693 - wos: WOS:000246537900004 (21) - scopus: 2-s2.0-33947517393 (23)

11573/363464 - 2007 - Evidence for sevenfold coordination in the first solvation shell of Hg(II) aqua ion
Giovanni, Chillemi; Giordano, Mancini; Nico, Sanna; Vincenzo, Barone; S., Della Longa; Maurizio, Benfatto; Pavel, Nicolae Viorel; D'angelo, Paola - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 5430-5436 - issn: 0002-7863 - wos: WOS:000245946400047 (70) - scopus: 2-s2.0-34247850817 (73)

11573/45339 - 2007 - X-ray Absorption Fine Structure Spectroscopic Studies of Octakis(DMSO)lanthanoid(III) Complexes in Solution and in the Solid Iodides
Ingmar, Persson; Emiliana Damian, Risberg; D'angelo, Paola; Simone De, Panfilis; Magnus, Sandström; Alireza, Abbasi - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 7742-7748 - issn: 0020-1669 - wos: WOS:000249371500016 (24) - scopus: 2-s2.0-34948820625 (24)

11573/44426 - 2007 - Progresses in the MXAN Fitting Procedure
K., Hayakawa; K., Hatada; S., Della Longa; D'angelo, Paola; M., Benfatto - 04c Atto di convegno in rivista
paper: AIP CONFERENCE PROCEEDINGS (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. 111-113 - issn: 0094-243X - wos: (0) - scopus: 2-s2.0-33947394413 (13)
conference: X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference (Stanford, CA; United States)

11573/45337 - 2007 - A structural study of the N,N'-dimethylpropyleneurea solvated zinc(II) and cadmium(II) ions in solution and crystalline state
L., Eriksson; D'angelo, Paola; I., Persson; D., Lundeberg - 01a Articolo in rivista
paper: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 105-112 - issn: 0167-7322 - wos: WOS:000245002500017 (9) - scopus: 2-s2.0-33845877714 (9)

11573/390541 - 2006 - X-ray edge spectroscopy and theoretical chemistry
D'angelo, Paola - 04a Atto di comunicazione a congresso
conference: Chimie théorique et simulation des seuils d’absorption X (Avignone)

11573/44423 - 2006 - X-ray absorption spectroscopy of hemes and hemoproteins: multiple scattering analysis
D'angelo, Paola; A., Calzetta; O. M., Roscioni; A., Arcovito; M., Benfatto; W., Meyer Klaucke; S., Della Longa - 01a Articolo in rivista
paper: JOURNAL OF PORPHYRINS AND PHTHALOCYANINES (Soc Porphyrins & Phthalocyanin:6 Boulevard Gabriel, JPP Office, 21000 Dijon France:011 33 3 80396118, EMAIL: jpp@u-bourgogne.fr, Fax: 011 33 3 80396869) pp. 595-595 - issn: 1088-4246 - wos: (0) - scopus: (0)

11573/363546 - 2006 - Detection of second hydration shells in ionic solutions by XANES: Computed spectra for Ni2+ in water based on molecular dynamics
D'angelo, Paola; O. M., Roscioni; G., Chillemi; S., Della Longa; M., Benfatto - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 1853-1858 - issn: 0002-7863 - wos: WOS:000235452200024 (54) - scopus: 2-s2.0-33244464269 (57)

11573/44422 - 2006 - Advances in the quantitative structural analysis of XAS data
M., Benfatto; S., Della Longa; D'angelo, Paola - 01a Articolo in rivista
paper: JOURNAL OF PORPHYRINS AND PHTHALOCYANINES (Soc Porphyrins & Phthalocyanin:6 Boulevard Gabriel, JPP Office, 21000 Dijon France:011 33 3 80396118, EMAIL: jpp@u-bourgogne.fr, Fax: 011 33 3 80396869) pp. 227-227 - issn: 1088-4246 - wos: (0) - scopus: (0)

11573/44424 - 2006 - A coupled Car-Parinello Molecular Dynamics and EXAFS Data Analysis Investigation of Aqueous Co2+
R., Spezia; M., Duvail; P., Vitorge; T., Catailler; J., Tortajada; G., Chillemi; D'angelo, Paola; M. P., Gaigeot - 01a Articolo in rivista
paper: 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. 13081-13088 - issn: 1089-5639 - wos: WOS:000242405100014 (47) - scopus: 2-s2.0-33846047076 (47)

11573/239936 - 2005 - Advances in the theoretical analysis of the XANES (X-Ray Absorption Near Edge Structure) energy region for quantitative structural use
Benfatto, M; Della Longa, S; D'angelo, Paola - 01a Articolo in rivista
paper: PHYSICA SCRIPTA (Royal Swedish Academy of Sciences:Publications Department, Box 50005, S-104 05 Stockholm Sweden:011 46 8 1664480, INTERNET: http://www.kva.se/eng/index.html, Fax: 011 46 8 166405, 011 46 8 6739590) pp. 28-32 - issn: 0031-8949 - wos: WOS:000204272100004 (18) - scopus: 2-s2.0-31044436791 (23)

11573/390580 - 2005 - New developments in the quantitative structural analysis of XAS data
D'angelo, Paola - 04a Atto di comunicazione a congresso
conference: Spectroscopy in Theory and in Pratics (Nuova Gorica)

11573/239878 - 2005 - Experimental evidence for a variable first coordination shell of the cadmium(II) ion in aqueous, dimethyl sulfoxide, and N,N '-dimethylpropyleneurea solution
D'angelo, Paola; Chillemi, G; Barone, V; Mancini, G; Sanna, N; Persson, I. - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 9178-9185 - issn: 1520-6106 - wos: WOS:000228982900090 (49) - scopus: 2-s2.0-19944411862 (51)

11573/390671 - 2005 - X-ray Absorption Studies on the N-terminal Copper-binding Region of Haemophilus ducreyi Cu,Zn Superoxide Dismutase
D'angelo, Paola; F., Pacello; G., Mancini; O., Proux; J. L., Hazemann; A., Desideri; A., Battistoni - 02a Capitolo o Articolo
book: ESRF HIGHLIGHTS 2005 - ()

11573/236936 - 2005 - X-ray absorption investigation of a unique protein domain able to bind both copper(I) and copper(II) at adjacent sites of the N-terminus of Haemophilus ducreyi Cu,Zn superoxide dismutase.
D'angelo, Paola; Pacello, F; Mancini, G; Proux O. Hazemann J., L; Desideri, A; Battistoni, A. - 01a Articolo in rivista
paper: BIOCHEMISTRY (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. 13144-13150 - issn: 0006-2960 - wos: WOS:000232253700023 (21) - scopus: 2-s2.0-25444488496 (22)

11573/44674 - 2005 - The solution structure of [Cu(aq)](2+) and its implications for rack-induced bonding in blue copper protein active
Frank, P; Benfatto, M; Szilagyi, Rk; D'angelo, Paola; Della Longa, S; Hodgson, Ko - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 1922-1933 - issn: 0020-1669 - wos: WOS:000227764700029 (121) - scopus: 2-s2.0-15944396580 (130)

11573/44673 - 2005 - Computational evidence for a variable first shell coordination of the cadmium(II) ion in aqueous solution
Giovanni, Chillemi; Vincenzo, Barone; D'angelo, Paola; Giordano, Mancini; Ingmar, Persson; Nico, Sanna - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 9186-9193 - issn: 1520-6106 - wos: WOS:000228982900091 (48) - scopus: 2-s2.0-19944405482 (50)

11573/44753 - 2005 - A quantitative structural investigation of the XANES spectra of potassium ferrocyanide (III) at the iron K-edge
Hayakawa, K; Hatada, K; Natoli, Cr; D'angelo, Paola; Della Longa, S; Benfatto, M. - 01a Articolo in rivista
paper: PHYSICA SCRIPTA (Royal Swedish Academy of Sciences:Publications Department, Box 50005, S-104 05 Stockholm Sweden:011 46 8 1664480, INTERNET: http://www.kva.se/eng/index.html, Fax: 011 46 8 166405, 011 46 8 6739590) pp. 152-154 - issn: 0031-8949 - wos: WOS:000204272100035 (1) - scopus: 2-s2.0-42149183556 (1)

11573/358241 - 2005 - Quantitative analysis of XANES spectra of disordered systems based on molecular dynamics
Otello Maria, Roscioni; D'angelo, Paola; Giovanni, Chillemi; Lonaga S., Della; Maurizio, Benfatto - 01a Articolo in rivista
paper: JOURNAL OF SYNCHROTRON RADIATION (Blackwell Munksgaard:PO Box 2148, Periodicals Department, DK-1016 Copenhagen K Denmark:011 45 33 755913, EMAIL: agentservices@oxon.blackwellpublishing.com, INTERNET: http://www.blackwellmunksgaard.com, Fax: 011 45 77 333377) pp. 75-79 - issn: 0909-0495 - wos: WOS:000225960900013 (16) - scopus: 2-s2.0-22044437238 (16)

11573/44752 - 2004 - Effect of multielectronic configurations on the XAFS analysis at the FeK edge
D'angelo, Paola; Benfatto, M. - 01a Articolo in rivista
paper: 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. 4505-4514 - issn: 1089-5639 - wos: WOS:000221454500020 (46) - scopus: 2-s2.0-2642515714 (50)

11573/44751 - 2004 - Structure of the hydrated and dimethyl sulfoxide solvated rubidium ions in solution
D'angelo, Paola; Ingmar, Persson - 01a Articolo in rivista
paper: INORGANIC CHEMISTRY (Washington, DC: American Chemical Society) pp. 3543-3549 - issn: 0020-1669 - wos: WOS:000221684900032 (32) - scopus: 2-s2.0-2442681690 (34)

11573/232262 - 2004 - Unusual heme iron-lipid acyl chain coordination in Escherichia coli flavohemoglobin
D'angelo, Paola; Lucarelli, Debora; Della Longa, Stefano; Benfatto, Maurizio; Hazemann, Jean Louis; Feis, Alessandro; Smulevich, Giulietta; Ilari, Andrea; Bonamore, Alessandra; Boffi, Alberto - 01a Articolo in rivista
paper: BIOPHYSICAL JOURNAL (New York: Published for the Biophysical Society by the Rockefeller University Press) pp. 3882-3892 - issn: 0006-3495 - wos: WOS:000222035200048 (40) - scopus: 2-s2.0-2942696586 (41)

11573/233779 - 2004 - Double-electron excitation channels at the Ca2+K-edge of hydrated calcium ion
D'angelo, Paola; Petit, Pe; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 11857-11865 - issn: 1520-6106 - wos: WOS:000223002400082 (28) - scopus: 2-s2.0-4143104505 (28)

11573/390575 - 2004 - Unusual Heme Iron-Lipid Acyl ChainCoordination in Escherichia coli Flavohemoglobin
D'angelo, Paola; S., Della Long]; M., Benfatto; Boffi, Alberto - 04a Atto di comunicazione a congresso
conference: ACTA BIOPHYSICA ROMANA (Roma)

11573/44569 - 2004 - Full quantitative multiple-scattering analysis of X-ray absorption spectra: Application to potassium hexacyanoferrat(II) and -(III) complexes
Hayakawa, K; Hatada, K; D'angelo, Paola; Della Longa, S; Natoli, Cr; Benfatto, M. - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 15618-15623 - issn: 0002-7863 - wos: WOS:000225349800068 (68) - scopus: 2-s2.0-9644290699 (70)

11573/390570 - 2004 - Nuovi sviluppi nell‘ analisi strutturalequantitativa di spettri XAS: applicazioni biologiche
S., Della Longa; D'angelo, Paola; M., Benfatto - 04a Atto di comunicazione a congresso
conference: XXXIV Congrsso Nazionale Biofisica (Roma)

11573/45287 - 2003 - Ion Hydration under Pressure
Filipponi, Adriano; De Panfilis, Simone; Oliva, Cecilia; Ricci, Maria Antonietta; D'angelo, Paola; Bowron, Daniel T - 01a Articolo in rivista
paper: PHYSICAL REVIEW LETTERS (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. 165505-165508 - issn: 0031-9007 - wos: WOS:000186068300029 (34) - scopus: 2-s2.0-0344899212 (33)

11573/255556 - 2002 - Evidence of distorted fivefold coordination of the Cu2+ aqua ion from an x-ray absorption spectroscopy quantitative analysis.
Benfatto, M; D'angelo, Paola; Della Longa, S; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: 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. 1742051-1742055 - issn: 1098-0121 - wos: WOS:000175619600063 (120) - scopus: 2-s2.0-0010620023 (137)

11573/254183 - 2002 - Combined XANES and EXFAS analysis of Co2+, Ni2+ and Zn2+ aqueous solutions
D'angelo, Paola; M., Benfatto; S., Della Longa; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: 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. 0642091-0642097 - issn: 1098-0121 - wos: WOS:000177911700043 (106) - scopus: 2-s2.0-0036696131 (107)

11573/44577 - 2002 - Hydrogen and higher shell contributions in Zn2+, Ni2+, and Co2+ aqueous solutions: An X-ray absorption fine structure and molecular dynamics study
D'angelo, Paola; V., Barone; G., Chillemi; N., Sanna; W., Meyerklauke; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 1958-1967 - issn: 0002-7863 - wos: WOS:000174191400032 (165) - scopus: 2-s2.0-0037028944 (170)

11573/44576 - 2002 - Development and validation of an integrated computational approach for the study of ionic species in solution by means of effective two-body potentials. The case of Zn2+, Ni2+, and Co2+ in aqueous solutions
G., Chillemi; D'angelo, Paola; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 1968-1976 - issn: 0002-7863 - wos: WOS:000174191400033 (84) - scopus: 2-s2.0-0037028986 (90)

11573/77111 - 2001 - Complete spectrum of multielectron excitations at the Br- K edge x-ray absorption spectra
D'angelo, Paola; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: 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. 2331121-2331124 - issn: 1098-0121 - wos: WOS:000172867900012 (10) - scopus: 2-s2.0-0035894062 (11)

11573/77112 - 2001 - EXAFS and molecular dynamics studies of ionic solutions
D'angelo, Paola; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: JOURNAL OF SYNCHROTRON RADIATION (Blackwell Munksgaard:PO Box 2148, Periodicals Department, DK-1016 Copenhagen K Denmark:011 45 33 755913, EMAIL: agentservices@oxon.blackwellpublishing.com, INTERNET: http://www.blackwellmunksgaard.com, Fax: 011 45 77 333377) pp. 173-177 - issn: 0909-0495 - wos: WOS:000167298100027 (8) - scopus: 2-s2.0-0035292359 (10)

11573/77113 - 2001 - K- and L-edge XAFS determination of the local structure of aqueous Nd(III) and Eu(III)
D'angelo, Paola; Pavel, Nicolae Viorel; Borowski, M. - 01a Articolo in rivista
paper: JOURNAL OF SYNCHROTRON RADIATION (Blackwell Munksgaard:PO Box 2148, Periodicals Department, DK-1016 Copenhagen K Denmark:011 45 33 755913, EMAIL: agentservices@oxon.blackwellpublishing.com, INTERNET: http://www.blackwellmunksgaard.com, Fax: 011 45 77 333377) pp. 666-668 - issn: 0909-0495 - wos: WOS:000167298100192 (17) - scopus: 2-s2.0-0035291623 (18)

11573/1321987 - 1999 - Determination of two- and three-body correlation functions in ionic solutions by means of MD and EXAFS investigations
D'angelo, P.; Pavel, N. V. - 01a Articolo in rivista
paper: JOURNAL OF SYNCHROTRON RADIATION (Blackwell Munksgaard:PO Box 2148, Periodicals Department, DK-1016 Copenhagen K Denmark:011 45 33 755913, EMAIL: agentservices@oxon.blackwellpublishing.com, INTERNET: http://www.blackwellmunksgaard.com, Fax: 011 45 77 333377) pp. 281-283 - issn: 0909-0495 - wos: WOS:000081221700057 (5) - scopus: 2-s2.0-0033466250 (7)

11573/77114 - 1999 - Evidence of three-body correlation functions in Rb+ and Sr2+ acetonitrile solutions
D'angelo, Paola; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: 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. 5107-5115 - issn: 0021-9606 - wos: WOS:000082402400029 (25) - scopus: 2-s2.0-0000718692 (25)

11573/44574 - 1998 - Accurate determination of molecular structures by x-ray diffraction spectroscopy
A., Filipponi; D'angelo, Paola - 01a Articolo in rivista
paper: 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. 5356-5356 - issn: 0021-9606 - wos: WOS:000076152700024 (22) - scopus: 2-s2.0-0032185249 (23)

11573/44573 - 1998 - 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
D., Roccatano; H. J. C., Berendsen; D'angelo, Paola - 01a Articolo in rivista
paper: 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. 9487-9487 - issn: 0021-9606 - wos: (0) - scopus: 2-s2.0-0032496568 (47)

11573/78570 - 1998 - X-ray absorption study of copper(II)-glycinate complexes in aqueous solution
D'angelo, Paola; Bottari, Emilio Giovanni; Festa, Maria Rosa; Nolting, Hf; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY. B (Columbus, OH : American Chemical Society, 1997-) pp. 3114-3122 - issn: 1520-5207 - wos: WOS:000073504900009 (43) - scopus: 2-s2.0-0000532618 (48)

11573/244383 - 1997 - Structural investigation of copper(II) chloride solutions using x-ray absorption spectroscopy
D'angelo, Paola; Bottari, Emilio Giovanni; Festa, Maria Rosa; Nolting, Hans Friedrich; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: 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. 2807-2812 - issn: 0021-9606 - wos: WOS:A1997XR57200012 (54) - scopus: (0)

11573/216444 - 1996 - X-ray absorption study of Copper(II)-Glycine binding.
Bottari, Emilio Giovanni; D'angelo, Paola; Festa, Maria Rosa; H., Nolting; Pavel, Nicolae Viorel - 04a Atto di comunicazione a congresso
book: XAFS IX -ESRF-Granoble, France - ()

11573/246230 - 1996 - An extended x-ray absorption fine structure study by emplying molecular dynamics simulations: Bromine ion in methanolic solution
D'angelo, Paola; Di Nola, Alfredo; M., Mangoni; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: 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. 1779-1790 - issn: 0021-9606 - wos: WOS:A1996TT36100003 (45) - scopus: 2-s2.0-0030080971 (47)

11573/256530 - 1996 - Evidence for multielectron resonances at the Sr K edge
D'angelo, Paola; H. F., Nolting; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. 798-805 - issn: 1050-2947 - wos: WOS:A1996TV64800022 (60) - scopus: 2-s2.0-0001462711 (66)

11573/245772 - 1996 - Multielectron excitations at the L edges of barium in aqueous solution
D'angelo, Paola; Pavel, Nicolae Viorel; D. Roccatano And H. F., Nolting - 01a Articolo in rivista
paper: PHYSICAL REVIEW. B, CONDENSED MATTER (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. 12129-12138 - issn: 0163-1829 - wos: WOS:A1996VT68100062 (52) - scopus: 2-s2.0-0000277643 (53)

11573/77116 - 1995 - DIFFERENTIAL ANOMALOUS SCATTERING STUDY OF PROBE MOLECULES
Bouchetfabre, B; D'angelo, Paola; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH. SECTION B, BEAM INTERACTIONS WITH MATERIALS AND ATOMS (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. 539-542 - issn: 0168-583X - wos: WOS:A1995RF15800119 (1) - scopus: 2-s2.0-0003585177 (2)

11573/77117 - 1995 - EXAFS STUDY OF MICELLAR AGGREGATES OF BILE-ACID RUBIDIUM SALTS
D'angelo, Paola; Dinola, A; Giglio, E; Mangoni, M; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY (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. 5471-5480 - issn: 0022-3654 - wos: WOS:A1995QT46500033 (30) - scopus: 2-s2.0-33751156311 (29)

11573/76902 - 1994 - TRIPLET CORRELATIONS IN THE HYDRATION SHELL OF AQUAIONS
Adriano, Filipponi; D'angelo, Paola; Pavel, Nicolae Viorel; A., Dicicco - 01a Articolo in rivista
paper: 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. 150-155 - issn: 0009-2614 - wos: WOS:A1994PA03700021 (58) - scopus: 2-s2.0-25344459182 (63)

11573/467259 - 1994 - X-ray absorption study of Copper(II)-Glycine binding.
Bottari, Emilio Giovanni; D'angelo, Paola; Festa, Maria Rosa; H., Nolting; Pavel, Nicolae Viorel - 04a Atto di comunicazione a congresso
conference: Jahersbericht 1994-HASYLAB DESY (Hamburg)

11573/257396 - 1994 - An Extended X-ray Absorption Fine Structure study of aqueous solutions by employing Molecular Dynamics simulations
D'angelo, Paola; Dinola, A; Filipponi, A; Pavel, Nicolae Viorel; Roccatano, D. - 01a Articolo in rivista
paper: 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. 985-994 - issn: 0021-9606 - wos: WOS:A1994MT00700025 (132) - scopus: 2-s2.0-0001635115 (132)

11573/245057 - 1994 - XAS STUDY OF SOLUBILIZATION LOCI OF BROMINATED MOLECULES IN AQUEOUS MICELLAR SOLUTIONS
I., Ascone; D'angelo, Paola; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY (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. 2982-2990 - issn: 0022-3654 - wos: WOS:A1994NB99700040 (11) - scopus: 2-s2.0-0000374338 (10)

11573/76937 - 1993 - MULTIPLE-SCATTERING X-RAY-ABSORPTION ANALYSIS OF SIMPLE BROMINATED HYDROCARBON MOLECULES
Burattini, E; D'angelo, Paola; Dicicco, A; Filipponi, A; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY (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. 5486-5494 - issn: 0022-3654 - wos: WOS:A1993LE40100007 (46) - scopus: 2-s2.0-0001596383 (46)

11573/256680 - 1993 - DOUBLE-ELECTRON EXCITATION CHANNELS AT THE BR K-EDGE OF HBR AND BR2
D'angelo, Paola; Dicicco, A; Filipponi, A; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: PHYSICAL REVIEW A (New York N.Y. : Published by the American Physical Society through the American Institute of Physics) pp. 2055-2063 - issn: 1050-2947 - wos: WOS:A1993KV98000055 (113) - scopus: 2-s2.0-0000183919 (112)

11573/76941 - 1991 - EXAFS STUDY OF PROBE MOLECULES IN MICELLAR SOLUTIONS
Burattini, E; D'angelo, Paola; Giglio, E; Pavel, Nicolae Viorel - 01a Articolo in rivista
paper: THE JOURNAL OF PHYSICAL CHEMISTRY (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. 7880-7886 - issn: 0022-3654 - wos: WOS:A1991GH89300060 (31) - scopus: 2-s2.0-0001420782 (30)

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