Polymer-Mediated Adhesion: Nanoscale Surface Morphology and Failure Mechanisms von Baggioli, Alberto, Casalegno, Mosè, David, Alessio, Pasquini, Marta, Raos, Guido

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Modelling the transport mechanism of organic molecules into cell membranes: The role of organic solvents von Casalegno, Mosè, Sello, Guido

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Magnetic Resonance Imaging and Molecular Dynamics Characterization of Ionic Liquid in Poly(ethylene oxide)-Based Polymer Electrolytes von Casalegno, Mosè, Castiglione, Franca, Raos, Guido, Appetecchi, Giovanni Battista, Passerini, Stefano, Mele, Andrea, Ragg, Enzio

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From Nanoscale to Microscale: Crossover in the Diffusion Dynamics within Two Pyrrolidinium-Based Ionic Liquids von Casalegno, Mosè, Raos, Guido, Appetecchi, Giovanni Battista, Passerini, Stefano, Castiglione, Franca, Mele, Andrea

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Phase transitions of aqueous solutions of Pluronic F68 in the presence of Diclofenac Sodium von Di Spirito, Nicola Antonio, Grizzuti, Nino, Casalegno, Mosè, Castiglione, Franca, Pasquino, Rossana

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Hyaluronic acid-based hydrogels: Drug diffusion investigated by HR-MAS NMR and release kinetics von Vanoli, Valeria, Delleani, Sara, Casalegno, Mosè, Pizzetti, Fabio, Makvandi, Pooyan, Haugen, Havard, Mele, Andrea, Rossi, Filippo, Castiglione, Franca

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Evidence of superdiffusive nanoscale motion in anionic polymeric hydrogels: Analysis of PGSE- NMR data and comparison with drug release properties von Castiglione, Franca, Casalegno, Mosè, Ferro, Monica, Rossi, Filippo, Raos, Guido, Mele, Andrea

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Origin of Charge Separation at Organic Photovoltaic Heterojunctions: A Mesoscale Quantum Mechanical View von Casalegno, Mosè, Pastore, Raffaele, Idé, Julien, Po, Riccardo, Raos, Guido

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Molecular Modeling of Crystalline Alkylthiophene Oligomers and Polymers von Moreno, Margherita, Casalegno, Mosè, Raos, Guido, Meille, Stefano V, Po, Riccardo

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From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations von Casalegno, Mosé, Raos, Guido, Sello, Guido

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A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers von Famulari, Antonino, Raos, Guido, Baggioli, Alberto, Casalegno, Mosè, Po, Riccardo, Meille, Stefano V

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Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics von Casalegno, Mosè, Zanardi, Stefano, Frigerio, Francesco, Po, Riccardo, Carbonera, Chiara, Marra, Gianluigi, Nicolini, Tommaso, Raos, Guido, Meille, Stefano Valdo

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Fracture in Silica/Butadiene Rubber: A Molecular Dynamics View of Design–Property Relationships von David, Alessio, Tartaglino, Ugo, Casalegno, Mosè, Raos, Guido

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The effect of donor content on the efficiency of P3HT:PCBM bilayers: optical and photocurrent spectral data analyses von Casalegno, Mosé, Kotowski, Dariusz, Bernardi, Andrea, Luzzati, Silvia, Po, Riccardo, Raos, Guido

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Association and Diffusion of Li+ in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries von Casalegno, Mosè, Castiglione, Franca, Passarello, Marco, Mele, Andrea, Passerini, Stefano, Raos, Guido

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Carcinogenicity prediction of noncongeneric chemicals by augmented top priority fragment classification von Casalegno, Mosè, Sello, Guido

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A facile surfactant-free strategy to construct porous structures with hydrophobic and hydrophilic domains from polymer/water mixtures von Partenope, Alessandra, Pizzetti, Fabio, Vanoli, Valeria, Casalegno, Mosè, Cingolani, Alberto, Nogueira, Liebert Parreiras, Castiglione, Franca, Haugen, Håvard J., Rossi, Filippo

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Coarse-Grained Simulations of Model Polymer Nanofibres von Milani, Alberto, Casalegno, Mosè, Castiglioni, Chiara, Raos, Guido

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Definition and Detection of Outliers in Chemical Space von Casalegno, Mosè, Sello, Guido, Benfenati, Emilio

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Computing accurate forces in quantum Monte Carlo using Pulay’s corrections and energy minimization von Casalegno, Mosé, Mella, Massimo, Rappe, Andrew M.

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