Sfoglia per Autore
Hyaluronic acid-based hydrogels: Drug diffusion investigated by HR-MAS NMR and release kinetics
2023-01-01 Vanoli, Valeria; Delleani, Sara; Casalegno, Mose'; Pizzetti, Fabio; Makvandi, Pooyan; Haugen, Havard; Mele, Andrea; Rossi, Filippo; Castiglione, Franca
Modeling of Poly(3-hexylthiophene) and Its Oligomer's Structure and Thermal Behavior with Different Force Fields: Insights into the Phase Transitions of Semiconducting Polymers
2022-01-01 Casalegno, M.; Famulari, A.; Meille, S. V.
A facile surfactant-free strategy to construct porous structures with hydrophobic and hydrophilic domains from polymer/water mixtures
2022-01-01 Partenope, Alessandra; Pizzetti, Fabio; Vanoli, Valeria; Casalegno, Mose'; Cingolani, Alberto; Parreiras Nogueira, Liebert; Castiglione, Franca; Haugen, Håvard J.; Rossi, Filippo
Modeling of the Electrostatic Interaction and Catalytic Activity of [NiFe] Hydrogenases on a Planar Electrode
2022-01-01 RUÍZ RODRÍGUEZ, M. A.; Cooper, C. D; Rocchia, W.; Casalegno, M.; LOPEZ DE LOS SANTOS, Y.; Raos, G.
Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domain
2021-01-01 Casalegno, M.; Raos, G.; Sello, G.
Fracture in Silica/Butadiene Rubber: A Molecular Dynamics View of Design–Property Relationships
2021-01-01 David, Alessio; Tartaglino, Ugo; Casalegno, Mosè; Raos, Guido
Polymer-Mediated Adhesion: Nanoscale Surface Morphology and Failure Mechanisms
2021-01-01 Baggioli, Alberto; Casalegno, Mosè; David, Alessio; Pasquini, Marta; Raos, Guido
Magnetic Resonance Imaging and Molecular Dynamics Characterization of Ionic Liquid in Poly(ethylene oxide)-Based Polymer Electrolytes
2020-01-01 Casalegno, M.; Castiglione, F.; Raos, G.; Appetecchi, G. B.; Passerini, S.; Mele, A.; Ragg, E.
Modelling crystal polymorphs and related phase transitions in semiconducting polymers: poly(3-alkylthiophenes)
2019-01-01 Casalegno, M.; Raos, G.; Famulari, A.; Nicolini, T.; Meille, S. V.
Atomistic modeling of solid-state phase transitions in poly(3-alkylthiophenes): from form II to form I polymorphs.
2019-01-01 Casalegno, M.; Nicolini, T.; Famulari, A.; Raos, G.; Po, R.; Meille, S. V.
Evidence of superdiffusive nanoscale motion in anionic polymeric hydrogels: Analysis of PGSE-NMR data and comparison with drug release properties
2019-01-01 Castiglione, F.; Casalegno, M.; Ferro, M.; Rossi, F.; Raos, G.; Mele, A.
Atomistic Simulation of Phase Transitions and Charge Mobility for the Organic Semiconductor Ph-BTBT-C10
2019-01-01 Baggioli, A.; Casalegno, M.; Raos, G.; Muccioli, L.; Orlandi, S.; Zannoni, C.
Influence of wall heterogeneity on nanoscopically confined polymers
2019-01-01 Pastore, Raffaele; David, Alessio; Casalegno, Mosè; Greco, Francesco; Raos, Guido
Modelling crystalline phase transitions in poly(3-alkylthiophenes)
2018-01-01 Casalegno, Mose'; Famulari, Antonino; Raos, Guido; Meille, STEFANO VALDO
Modeling solid state transitions in poly(3-alkylthiophenes)
2018-01-01 Casalegno, M.; Famulari, A.; Raos, G.; Meille, S. V.
Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes)
2018-01-01 Casalegno, Mosè; Nicolini, Tommaso; Famulari, Antonino; Raos, Guido; Po, Riccardo; Meille, Stefano V
From Nanoscale to Microscale: Crossover in the Diffusion Dynamics Within Two Pyrrolidinium-Based Ionic Liquids
2017-01-01 Casalegno, Mose'; Raos, Guido; Appetecchi, Giovanni Battista; Passerini, Stefano; Castiglione, Franca; Mele, Andrea
Origin of Charge Separation at Organic Photovoltaic Heterojunctions: A Mesoscale Quantum Mechanical View
2017-01-01 Casalegno, Mose'; Pastore, Raffaele; Idé, Julien; Po, Riccardo; Raos, Guido
Surface Reconstructions in Organic Crystals: Simulations of the Effect of Temperature and Defectivity on Bulk and (001) Surfaces of 2,2′:6′,2″-Ternaphthalene
2016-01-01 Casalegno, Mose'; Moret, Massimo; Resel, Roland; Raos, Guido
Association and diffusion of Li+ in carboxymethylcellulose solutions with application to environmentally friendly Li-ion batteries: a combined Molecular Dynamics and NMR study
2016-01-01 Casalegno, Mose'; Castiglione, Franca; Passarello, Marco; Mele, Andrea; Passerini, Stefano; Raos, Guido
From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations
2016-01-01 Casalegno, Mose'; Raos, Guido; Sello, Guido
Carcinogenicity prediction of noncongeneric chemicals by augmented top priority fragment classification
2016-01-01 Casalegno, M.; Sello, G.
The effect of donor content on the efficiency of P3HT:PCBM bilayers: optical and photocurrent spectral data analyses
2015-01-01 Casalegno, Mose'; Kotowski, Dariusz; Bernardi, Andrea; Luzzati, Silvia; Po, Riccardo; Raos, Guido
Hydrophobic aggregation and collective absorption of dioxin into lipid membranes: insights from atomistic simulations
2015-01-01 Casalegno, Mose'; Raos, Guido; Sello, G.
Electron transport in crystalline PCBM-like fullerene derivatives: a comparative computational study
2014-01-01 Ide', Julien; Daniele, Fazzi; Casalegno, Mose'; Meille, STEFANO VALDO; Raos, Guido
Regioregular Poly(3-octylthiophene): Diffraction studies and computational modeling
2013-01-01 Nicolini, Tommaso; Raos, Guido; Baggioli, Alberto; Casalegno, Mose'; Famulari, Antonino; Martin, Brinkmann; Meille, STEFANO VALDO
Polymorphism in organic electronic materials: PCBM as a case study
2013-01-01 Raos, Guido; Julien, Idé; Daniele, Fazzi; Casalegno, Mose'; Tommaso, Nicolini; Famulari, Antonino; Meille, STEFANO VALDO
Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics
2013-01-01 Casalegno, Mose'; Stefano, Zanardi; Francesco, Frigerio; Riccardo, Po; Chiara, Carbonera; Gianluigi, Marra; Nicolini, Tommaso; Raos, Guido; Meille, STEFANO VALDO
An Effective Two-Orbital Quantum Chemical Model for Organic Photovoltaic Materials
2013-01-01 Raos, Guido; Casalegno, Mose'; Ide', Julien
Numerical simulation of photocurrent generation in bilayer organic solar cells: Comparison of master equation and kinetic Monte Carlo approaches
2013-01-01 Casalegno, Mose'; Andrea, Bernardi; Raos, Guido
Molecular dynamics simulations of the solvent- and thermal history-dependent structure of the PCBM fullerene derivative
2012-01-01 F., Frigerio; Casalegno, Mose'; C., Carbonera; Nicolini, Tommaso; Meille, STEFANO VALDO; Raos, Guido
A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers
2012-01-01 Famulari, Antonino; Raos, Guido; Baggioli, Alberto; Casalegno, Mose'; Riccardo, Po; Meille, STEFANO VALDO
Coarse-grained kinetic modelling of bilayer heterojunction organic solar cells
2012-01-01 Casalegno, Mose'; C., Carbonera; S., Luzzati; Raos, Guido
Materials for organic photovoltaics: insights from detailed structural models and molecular simulations
2012-01-01 Casalegno, Mose'; Baggioli, Alberto; Famulari, Antonino; Meille, STEFANO VALDO; Nicolini, Tommaso; R., Po; Raos, Guido
Combined diffraction and modelling approaches: a key for an atomistic understanding of the structure and properties of polythiophenes?
2011-01-01 Casalegno, M.; Famulari, Antonino; Nicolini, T.; Raos, Guido; Carbonera, C.; Meille, STEFANO VALDO
Coarse-Grained Molecular Dynamics Simulations of Nylon-6 Nanofibers
2011-01-01 Milani, Alberto; Casalegno, Mose'; Castiglioni, Chiara; Raos, Guido
Combined diffraction and modelling approaches: a key for an atomistic understanding of the structure and properties of polythiophenes?
2011-01-01 Casalegno, M.; Famulari, Antonino; Nicolini, T.; Raos, Guido; Carbonera, C.; Meille, STEFANO VALDO
Nonequilibrium simulations of filled polymer networks: Searching for the origins of reinforcement and nonlinearity
2011-01-01 Raos, Guido; Casalegno, Mose'
Coarse-Grained Simulations of Model Polymer Nanofibres
2011-01-01 Milani, Alberto; Casalegno, Mose'; Castiglioni, Chiara; Raos, Guido
Molecular Modeling of Crystalline Alkylthiophene Oligomers and Polymers
2010-01-01 M., Moreno; Casalegno, Mose'; Raos, Guido; Meille, STEFANO VALDO; R., Po
Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions
2010-01-01 Casalegno, Mose'; Raos, Guido; R., Po
Surface properties of electrospun modified polyamide nanofibres
2009-01-01 Bianco, Andrea; Bertarelli, Chiara; Casalegno, Mose'; Milani, Alberto; Raos, Guido; Castiglioni, Chiara; Zerbi, Giuseppe
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