Sfoglia per Autore
Understanding the thermoresponsive behavior of L61/Water mixtures via MD and DPD simulations: A two-scale approach
2026-01-01 Lauriello, N.; Sindelka, K.; Marchisio, D.; Casalegno, M.
Extension of the Jordan-Wigner mapping to nonorthogonal spin orbitals for quantum computing application to valence bond approaches
2025-01-01 Marruzzo, A.; Casalegno, M.; Macchi, P.; Mascherpa, F.; Tirri, B.; Raos, G.; Genoni, A.
Hyaluronic acid-based hydrogels as codelivery systems: The effect of intermolecular interactions investigated by HR-MAS and solid-state NMR Spectroscopy
2025-01-01 Vanoli, V.; Casalegno, M.; Carravetta, M.; Pizzetti, F.; Mele, A.; Rossi, F.; Castiglione, F.
Exploring the phase behavior of C8-BTBT-C8 at ambient and high temperatures: insights and challenges from molecular dynamics simulations
2024-01-01 Casalegno, Mosè; Provenzano, Simone; Raos, Guido; Moret, Massimo
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
Phase transitions of aqueous solutions of Pluronic F68 in the presence of Diclofenac Sodium
2023-01-01 Di Spirito, Nicola Antonio; Grizzuti, Nino; Casalegno, Mosè; Castiglione, Franca; Pasquino, Rossana
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.
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.
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
Modelling the transport mechanism of organic molecules into cell membranes: The role of organic solvents
2022-01-01 Casalegno, Mosè; Sello, Guido
Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domain
2021-01-01 Casalegno, M.; Raos, G.; Sello, G.
Polymer-Mediated Adhesion: Nanoscale Surface Morphology and Failure Mechanisms
2021-01-01 Baggioli, Alberto; Casalegno, Mosè; David, Alessio; Pasquini, Marta; Raos, Guido
Fracture in Silica/Butadiene Rubber: A Molecular Dynamics View of Design–Property Relationships
2021-01-01 David, Alessio; Tartaglino, Ugo; Casalegno, Mosè; 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.
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.
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.
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.
Influence of wall heterogeneity on nanoscopically confined polymers
2019-01-01 Pastore, Raffaele; David, Alessio; Casalegno, Mosè; Greco, Francesco; Raos, Guido
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.
Modelling crystalline phase transitions in poly(3-alkylthiophenes)
2018-01-01 Casalegno, Mose'; Famulari, Antonino; Raos, Guido; Meille, STEFANO VALDO
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