11573/1685812 - 2023 -
Mechanism of water intrusion into flexible {ZIF}-8: liquid is not vapor Amayuelas, Eder; Tortora, Marco; Bartolom('(E)), Luis; David Littlefair, Josh; Paulo, Gon(C(C))Alo; Le Donne, Andrea; Trump, Benjamin; Andreevich Yakovenko, Andrey; (Z))Ewski, Miros(L)Aw Chor(K(A))(.; Giacomello, Alberto; Zajdel, Pawe(L); Meloni, Simone; Grosu, Yaroslav - 01a Articolo in rivista
rivista: NANO LETTERS (Washington, DC : American Chemical Society, c2001-) pp. 5430-5436 - issn: 1530-6984 - wos: WOS:001006197500001 (6) - scopus: 2-s2.0-85160727563 (7)
11573/1571391 - 2022 -
Assessing the Propensity Toward Ionization in Nanosized Clusters of Protic Ionic Liquids by Ab-initio Methods Le Donne, Andrea; Russo, Stefano; Bodo, Enrico - 01a Articolo in rivista
rivista: 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. 111365- - issn: 0301-0104 - wos: WOS:000711922600003 (2) - scopus: 2-s2.0-85115944742 (2)
11573/1663015 - 2022 -
Intrusion and extrusion of liquids in highly confining media: bridging fundamental research to applications Le Donne, Andrea; Tinti, Antonio; Amayuelas, Eder; Kashyap, Hemant K.; Camisasca, Gaia; Remsing, Richard C.; Roth, Roland; Grosu, Yaroslav; Meloni, Simone - 01a Articolo in rivista
rivista: ADVANCES IN PHYSICS: X (Oxford, Oxfordshire, UK : Taylor & Francis) pp. - - issn: 2374-6149 - wos: WOS:000788358100001 (2) - scopus: 2-s2.0-85128894919 (4)
11573/1544935 - 2021 -
Hydrogen bonding in biocompatible ionic liquids: an ab-initio characterization of dimeric interactions Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
rivista: ELECTRONIC STRUCTURE ([Bristol]: IOP Publishing) pp. - - issn: 2516-1075 - wos: WOS:000706183300016 (1) - scopus: 2-s2.0-85108707239 (2)
Le Donne, Andrea; Bodo, Enrico - 01a Articolo in rivista
rivista: BIOPHYSICAL REVIEWS (Heidelberg ; Berlin : Springer) pp. 147-160 - issn: 1867-2450 - wos: (0) - scopus: 2-s2.0-85100180919 (34)
11573/1477943 - 2021 -
Chapter 1 - Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods Mariani, A.; Engelbrecht, L.; Le Donne, A.; Mocci, F.; Bodo, E.; Passerini, S. - 02a Capitolo o Articolo
libro: Theoretical and Computational Approaches to Predicting Ionic Liquid Properties - (9780128202807)
11573/1367077 - 2020 -
Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains Adenusi, Henry; Le Donne, Andrea; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 1955-1964 - issn: 1520-6106 - wos: WOS:000526860700011 (11) - scopus: 2-s2.0-85081945784 (11)
11573/1455369 - 2020 -
CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms Onofri, Stefano; Adenusi, Henry; Le Donne, Andrea; Bodo, Enrico - 01a Articolo in rivista
rivista: CHEMISTRYOPEN (Weinheim : Wiley-VCH-Verl.) pp. 1153-1160 - issn: 2191-1363 - wos: WOS:000593986800009 (13) - scopus: 2-s2.0-85096946049 (14)
11573/1305393 - 2019 -
Structural features of cholinium based protic ionic liquids through molecular dynamics Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 5568-5576 - issn: 1520-6106 - wos: WOS:000474796300019 (16) - scopus: 2-s2.0-85068410130 (18)
11573/1209227 - 2019 -
Strong intramolecular hydrogen bonding in protonated β-methylaminoalanine: a vibrational spectroscopic and computational study Linford, Bryan D; Le Donne, Andrea; Scuderi, Debora; Bodo, Enrico; Fridgen, Travis D - 01a Articolo in rivista
rivista: EUROPEAN JOURNAL OF MASS SPECTROMETRY (IM Publications:6 Charlton Mill, Charlton Chichester, West Sussex PO18 0HY United Kingdom:011 44 1243 811334, EMAIL: imp@impub.demon.co.uk, INTERNET: http://www.impub.co.uk, Fax: 011 44 1243 811711) pp. 133-141 - issn: 1469-0667 - wos: WOS:000458990100014 (3) - scopus: 2-s2.0-85062089376 (4)
11573/1025495 - 2018 -
Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation Bodo, Enrico; Le Donne, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 1075-1082 - issn: 0167-7322 - wos: WOS:000423892100122 (9) - scopus: 2-s2.0-85037114735 (9)
11573/1083617 - 2018 -
Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations Campetella, Marco; Le Donne, Andrea; Daniele, Maddalena; Gontrani, Lorenzo; Lupi, Stefano; Bodo, Enrico; Leonelli, Francesca - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 2635-2645 - issn: 1520-6106 - wos: WOS:000427331400019 (34) - scopus: 2-s2.0-85043511566 (35)
11573/1139258 - 2018 -
Hydrogen bonding as a clustering agent in protic ionic liquids: like-charge vs opposite-charge dimer formation Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico - 01a Articolo in rivista
rivista: ACS OMEGA (Washington, D.C. : American Chemical Society, 2016-) pp. 10589-10600 - issn: 2470-1343 - wos: WOS:000446186000018 (19) - scopus: 2-s2.0-85053015483 (19)