Sfoglia per Autore
17O NMR: A "Rare and Sensitive" Probe of Molecular Interactions and Dynamics
2015-01-01 Castiglione, Franca; Mele, Andrea; 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
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
Molecular Dynamics Simulation on Physical Properties of Liquid Lead, Bismuth and Lead-bismuth Eutectic (LBE)
2016-01-01 Gao, Yun; Raos, Guido; Cavallotti, CARLO ALESSANDRO; Takahashi, Minoru
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
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
Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)
2018-01-01 Gao, Yun; Takahashi, Minoru; Cavallotti, Carlo; Raos, Guido
Effects of chemically heterogeneous nanoparticles on polymer dynamics: Insights from molecular dynamics simulations
2018-01-01 Zheng, Zijian; Li, Fanzhu; Liu, Jun; Pastore, Raffaele; Raos, Guido; Wu, Youping; Zhang, Liqun
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.
Molecular geometry and molecular graphics: Natta's polypropylene and beyond
2019-01-01 Raos, Guido
Influence of wall heterogeneity on nanoscopically confined polymers
2019-01-01 Pastore, Raffaele; David, Alessio; Casalegno, Mosè; Greco, Francesco; Raos, Guido
All-Atom Model of Atactic 2-Vinyl Pyridine Polymer: Structural Properties Investigation by Molecular Dynamics Simulations
2019-01-01 Caputo, Stefano; De Nicola, Antonio; Donati, Greta; David, Alessio; Raos, Guido; Milano, Giuseppe
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.
Viscoelasticity of Short Polymer Liquids from Atomistic Simulations
2019-01-01 David, Alessio; De Nicola, Antonio; Tartaglino, Ugo; Milano, Giuseppe; 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.
SEPARAZIONE DI CARICA IN MISCELE DI MATERIALI ORGANICI: VALE LA LEGGE DI COULOMB?
2020-01-01 Raos, Guido
Tunable interaction potentials and morphology of polymer–nanoparticle blends
2020-01-01 Pasquini, Marta; Raos, Guido
A Coarse-Grained Force Field for Silica–Polybutadiene Interfaces and Nanocomposites
2020-01-01 David, Alessio; Pasquini, Marta; Tartaglino, Ugo; 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.
Quo Vadis, Macromolecular Science? Reflections by the IUPAC Polymer Division on the Occasion of the Staudinger Centenary
2020-01-01 Abetz, Volker; Chan, Chin Han; Luscombe, Christine K.; Matson, John B.; Merna, Jan; Nakano, Tamaki; Raos, Guido; Russell, Gregory T.
Buffered accelerated weathering of limestone for storing CO2: Chemical background
2021-01-01 Caserini, S.; Cappello, G.; Righi, D.; Raos, G.; Campo, F.; De Marco, S.; Renforth, P.; Varliero, S.; Grosso, M.
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
Polymer Adhesion: Seeking New Solutions for an Old Problem
2021-01-01 Raos, Guido; Zappone, Bruno
Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domain
2021-01-01 Casalegno, M.; Raos, G.; Sello, G.
Towards realistic simulations of polymer networks: tuning vulcanisation and mechanical properties
2021-01-01 David, Alessio; Tartaglino, Ugo; Raos, Guido
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.
Ocean liming in eutrophic water: a mesocosm scale approach
2023-01-01 Basso, Daniela; Azzellino, Arianna; Macchi, Piero; Santinelli, Chiara; Fernández, Emilio; Serret, Pablo; Bachi, Giancarlo; Checcucci, Giovanni; Diaz, Alexandra; Teira, Eva; Raos, Guido; Valsecchi, Silvia; Varliero, Selene; Bazzicalupo, Pietro; Gariboldi, Karen; Gonzalez, Jose
Techno-economic evaluation of buffered accelerated weathering of limestone as a CO2 capture and storage option
2023-01-01 De Marco, S; Varliero, S; Caserini, S; Cappello, G; Raos, G; Campo, F; Grosso, M
Molecular dynamics simulation of adhesion at the asphalt-aggregate interface: A review
2024-01-01 Tang, Yujie; Fu, Zhen; Raos, Guido; Ma, Feng; Zhao, Peng; Hou, Yingjie
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