Theories and simulations of polymer-based nanocomposites: From chain statistics to reinforcement G Allegra, G Raos, M Vacatello Progress in Polymer Science 33 (7), 683-731, 2008 | 341 | 2008 |
Interaction of Water with the Model Ionic Liquid [bmim][BF4]: Molecular Dynamics Simulations and Comparison with NMR Data M Moreno, F Castiglione, A Mele, C Pasqui, G Raos The Journal of Physical Chemistry B 112 (26), 7826-7836, 2008 | 261 | 2008 |
Halogen bonding in fluoroalkylhalides: a quantum chemical study of increasing fluorine substitution G Valerio, G Raos, SV Meille, P Metrangolo, G Resnati The Journal of Physical Chemistry A 104 (8), 1617-1620, 2000 | 233 | 2000 |
The local structure of ionic liquids: Cation-cation NOE interactions and internuclear distances in neat [BMIM][BF4] and [BDMIM][BF4] A Mele, G Romanò, M Giannone, E Ragg, G Fronza, G Raos, V Marcon ANGEWANDTE CHEMIE. INTERNATIONAL EDITION 45 (7), 1123-1126, 2006 | 164 | 2006 |
Computational reinvestigation of the bithiophene torsion potential G Raos, A Famulari, V Marcon Chemical physics letters 379 (3-4), 364-372, 2003 | 144 | 2003 |
Side-chain role in chemically sensing conducting polymer field-effect transistors L Torsi, MC Tanese, N Cioffi, MC Gallazzi, L Sabbatini, PG Zambonin, ... The Journal of Physical Chemistry B 107 (31), 7589-7594, 2003 | 141 | 2003 |
Computational experiments on filled rubber viscoelasticity: what is the role of particle− particle interactions? G Raos, M Moreno, S Elli Macromolecules 39 (19), 6744-6751, 2006 | 129 | 2006 |
Structural organization and transport properties of novel pyrrolidinium-based ionic liquids with perfluoroalkyl sulfonylimide anions F Castiglione, M Moreno, G Raos, A Famulari, A Mele, GB Appetecchi, ... The Journal of Physical Chemistry B 113 (31), 10750-10759, 2009 | 118 | 2009 |
Molecular modeling of crystalline alkylthiophene oligomers and polymers M Moreno, M Casalegno, G Raos, SV Meille, R Po The Journal of Physical Chemistry B 114 (4), 1591-1602, 2010 | 117 | 2010 |
Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions M Casalegno, G Raos, R Po The Journal of chemical physics 132 (9), 2010 | 103 | 2010 |
Molecular modeling of crystalline oligothiophenes: Testing and development of improved force fields V Marcon, G Raos The Journal of Physical Chemistry B 108 (46), 18053-18064, 2004 | 85 | 2004 |
Free energies of molecular crystal surfaces by computer simulation: Application to tetrathiophene V Marcon, G Raos Journal of the American Chemical Society 128 (5), 1408-1409, 2006 | 84 | 2006 |
Organic− Organic Epitaxy of Incommensurate Systems: Quaterthiophene on Potassium Hydrogen Phthalate Single Crystals M Campione, A Sassella, M Moret, A Papagni, S Trabattoni, R Resel, ... Journal of the American Chemical Society 128 (41), 13378-13387, 2006 | 82 | 2006 |
Blending ionic liquids: how physico-chemical properties change F Castiglione, G Raos, GB Appetecchi, M Montanino, S Passerini, ... Physical Chemistry Chemical Physics 12 (8), 1784-1792, 2010 | 77 | 2010 |
Polymer Adhesion: Seeking New Solutions for an Old Problem# G Raos, B Zappone Macromolecules 54 (23), 10617-10644, 2021 | 75 | 2021 |
Pyrrolidinium-Based Ionic Liquids Doped with Lithium Salts: How Does Li+ Coordination Affect Its Diffusivity? F Castiglione, A Famulari, G Raos, SV Meille, A Mele, GB Appetecchi, ... The Journal of Physical Chemistry B 118 (47), 13679-13688, 2014 | 74 | 2014 |
Chain collapse and phase separation in poor‐solvent polymer solutions: A unified molecular description G Raos, G Allegra The Journal of chemical physics 104 (4), 1626-1645, 1996 | 74 | 1996 |
Pyrazolium-versus imidazolium-based ionic liquids: structure, dynamics and physicochemical properties C Chiappe, A Sanzone, D Mendola, F Castiglione, A Famulari, G Raos, ... The Journal of Physical Chemistry B 117 (2), 668-676, 2013 | 66 | 2013 |
Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics M Casalegno, S Zanardi, F Frigerio, R Po, C Carbonera, G Marra, ... Chemical communications 49 (40), 4525-4527, 2013 | 64 | 2013 |
Ordered Stacking of Regioregular Head-to-Tail Polyalkylthiophenes: Insights from the Crystal Structure of Form I′ Poly(3-n-butylthiophene) P Arosio, M Moreno, A Famulari, G Raos, M Catellani, SV Meille Chemistry of Materials 21 (1), 78-87, 2009 | 64 | 2009 |