Sfoglia per Autore
Fracture of polymer nanocomposites and adhesives: current challenges for molecular simulations
2026-01-01 Raos, Guido
The Role of Electrolyte Structure and Dynamics in Organic Redox Flow Battery: Molecular Dynamics Simulation
2026-01-01 Nouri, Farshad; Melani, Giacomo; Mariani, Alessandro; Leonardi, Silvia; Raos, Guido
Unlocking the Organic Flow Battery: The Role of Electrolyte Structure and Dynamics
2026-01-01 Nouri, Farshad; Melani, Giacomo; Mariani, Alessandro; Leonardi, Silvia; Raos, Guido
Classical Molecular Dynamics Investigation of Polymeric Membranes for Organic Redox Flow Batteries
2026-01-01 Sabbaghi, Soroush; Raos, Guido; Mariani, Alessandro; Melani, Giacomo; Leonardi, Silvia
ESTUDIO COMPUTACIONAL MEDIANTE ELEMENTOS DE BORDE SOBRE LA INFLUENCIA DEL PH Y POTENCIAL EN LA ORIENTACIÓN DE ADSORCIÓN ENZIMÁTICA PARA DISPOSITIVOS BIOELECTROQUÍMICOS
2026-01-01 Herrera, Christian; Raos, Guido; Cooper, Christopher
Chemical stability of bicarbonate-enriched solution in seawater for ocean-based carbon dioxide storage: A mesocosm study
2026-01-01 Jamali Alamooti, Samira; Comazzi, Federico; Raos, Guido; Macchi, Piero
Bipolar Membrane Electrodialysis for Ocean Alkalinity Enhancement: Configuration feasibility and CO2 injection pathways
2026-01-01 Konderla, Vojtěch; Jamali Alamooti, Samira; Macchi, Piero; Raos, Guido; Vermaas, David A.
pH-equilibrated ocean alkalinization: Mesoscale evaluation of long-term stability
2026-01-01 Jamali Alamooti, Samira; Comazzi, Federico; Thaler, Eleonora Kratter; Groppelli, Sara; Calvi, Davide; Raos, Guido; Macchi, Piero
The response of phytoplankton to pH-equilibrated ocean alkalinization: A mesocosm experiment with harbour waters
2026-01-01 Groppelli, Sara; Calvi, Davide; Comazzi, Federico; Alamooti, Samira Jamali; Azzellino, Arianna; Barbaccia, Eleonora; Caronni, Sarah; Macchi, Piero; Raos, Guido; Basso, Daniela
Nonuniform Curvature and Bending Rigidity of Adsorbed Collagen Molecules in Aqueous Solution
2026-01-01 Barragàn Rivera, Daniela A.; De Santo, Maria P.; Brunelli, Elvira; Bilotto, Pierluigi; Thurner, Philipp J.; Raos, Guido; Zappone, Bruno
Response of the Carbonate System to Ocean Alkalinity Enhancement: A Mesocosm-Scale Experiment
2026-01-01 Varliero, Selene; Macchi, Piero; Basso, Daniela; Pitta, Paraskevi; Magiopoulos, Iordanis; Santinelli, Chiara; Checcucci, Giovanni; Valsecchi, Silvia; Borromeo, Laura; Raos, Guido
pH-Equilibrated Ocean Alkalinization: Mesoscale Evaluation of Long-Term Stability
2026-01-01 Jamali Alamooti, Samira; Comazzi, Federico; Kratter Thaler, Eleonora; Groppelli, Sara; Calvi, Davide; Raos, Guido; Macchi, Piero
Assessment of reactive force fields for the failure of hydrocarbon chains: Insights from molecular dynamics and density functional theory
2026-01-01 Liu, Luca; Raos, Guido
The Stereochemistry of Chain Scission in Polyolefins
2025-01-01 Raos, Guido
Integration of scattering data into molecular dynamics via on-the-fly structure factor refinement
2025-01-01 Cutore, F.; Mariani, A.; Raos, G.
Organic Redox Flow Batteries: Simulation of Polymeric Membranes
2025-01-01 Sabbaghi, Soroush; Melani, Giacomo; Mariani, Alessandro; Leonardi, Silvia; Raos, Guido
PDADMA-(TFSI) Membranes from DMF Solutions: Synthesis and Comprehensive Mechanical & Transport Property Study
2025-01-01 Sabbaghi, Soroush; Melani, Giacomo; Mariani, Alessandro; Leonardi, Silvia; Raos, Guido
Molecular Dynamics Simulations of Electrolyte Solutions for Organic Redox Flow Batteries
2025-01-01 Nouri, Farshad; Melani, Giacomo; Mariani, Alessandro; Leonardi, Silvia; Raos, Guido
Molecular Dynamics Simulations of Electrolyte Solutions for Organic Redox Flow Battery
2025-01-01 Nouri, F.; Melani, G.; Mariani, A.; Leonardi, S.; Raos, G.
Molecular dynamics simulation of mussel adhesive proteins
2025-01-01 Bhateja, Yuvam; Zappone, Bruno; Raos, Guido
Salt Solution Erosion of Asphalt Colloids on Metal Oxide Surface at Molecular Scale
2025-01-01 Tang, Yujie; Fu, Zhen; Raos, Guido; Hou, Yingjie; Jiang, Xinye; Shi, Ke; Wang, Tao; Ma, Feng; Zhao, Peng
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.
The effect of ocean alkalinity enhancement on zooplankton standing stock and community composition in the Eastern Mediterranean Sea: a mesocosm study
2025-01-01 Nocera, Ariadna C.; Traboni, Claudia; Courboulès, Justine; Romano, Filomena; Chantzaras, Christos; Magiopoulos, Iordanis; Varliero, Selene; Azzellino, Arianna; Bazzicalupo, Pietro; Macchi, Piero; Raos, Guido; Basso, Daniela; Pitta, Paraskevi
IUPAC and Wikipedia: A Story with Upsides, Downsides, Lessons & Rewards
2024-01-01 Chalk, Stuart J.; Raos, Guido; Topham, Paul D.; Walker, Martin A.
Tuning Adhesion and Energy Dissipation in Polymer Films between Solid Surfaces via Grafting and Cross-Linking
2024-01-01 Raos, Guido; Zappone, Bruno
Chemical Aspect of Ocean Liming for CO2 Removal: Dissolution Kinetics of Calcium Hydroxide in Seawater
2024-01-01 Varliero, Selene; Buono, Annamaria; Caserini, Stefano; Raos, Guido; Macchi, Piero
Ultimate Molecular Mechanical Properties of Polyolefin Chains
2024-01-01 Fakhrayi Mofrad, Nima; Bahadori, Pedram; Raos, Guido
Assessing the Limit of CO2 Storage in Seawater as Bicarbonate-Enriched Solutions
2024-01-01 Varliero, Selene; Jamali Alamooti, Samira; Campo, Francesco Pietro; Cappello, Giovanni; Cappello, Stefano; Caserini, Stefano; Comazzi, Federico; Macchi, Piero; Raos, Guido
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
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
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
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
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.
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
Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domain
2021-01-01 Casalegno, M.; Raos, G.; Sello, G.
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.
Towards realistic simulations of polymer networks: tuning vulcanisation and mechanical properties
2021-01-01 David, Alessio; Tartaglino, Ugo; Raos, Guido
Polymer Adhesion: Seeking New Solutions for an Old Problem
2021-01-01 Raos, Guido; Zappone, Bruno
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.
SEPARAZIONE DI CARICA IN MISCELE DI MATERIALI ORGANICI: VALE LA LEGGE DI COULOMB?
2020-01-01 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.
A Coarse-Grained Force Field for Silica–Polybutadiene Interfaces and Nanocomposites
2020-01-01 David, Alessio; Pasquini, Marta; Tartaglino, Ugo; Raos, Guido
Tunable interaction potentials and morphology of polymer–nanoparticle blends
2020-01-01 Pasquini, Marta; Raos, Guido
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.
Influence of wall heterogeneity on nanoscopically confined polymers
2019-01-01 Pastore, Raffaele; David, Alessio; Casalegno, Mosè; Greco, Francesco; Raos, Guido
Molecular geometry and molecular graphics: Natta's polypropylene and beyond
2019-01-01 Raos, Guido
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.
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.
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
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