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Mostrati risultati da 51 a 100 di 131
Titolo Data di pubblicazione Autori File
Free energies of molecular crystal surfaces by computer simulations: application to tetrathiophene 1-gen-2006 MARCON, VALENTINARAOS, GUIDO
Computational experiments on filled rubber viscoelasticity: what is the role of particle-particle interactions? 1-gen-2006 RAOS, GUIDOMORENO, MARGHERITAELLI, STEFANO
Modeling of molecular packing and conformation in oligofluorenes 1-gen-2006 MARCON, VALENTINARAOS, GUIDO +
Strategies for two-dimensional growth of organic molecular films 1-gen-2006 BUSSETTI, GIANLORENZOMARCON, VALENTINARAOS, GUIDO +
Organic-organic epitaxy of incommensurate systems: quaterthiophene on potassium hydrogen phthalate single crystals 1-gen-2006 MARCON, VALENTINARAOS, GUIDO +
Simulation of the surface properties of molecular crystals 1-gen-2007 MARCON, VALENTINAMORENO, MARGHERITARAOS, GUIDO
Structure and Supramolecular organization of substituted polythiophenes 1-gen-2007 FAMULARI, ANTONINORAOS, GUIDOMEILLE, STEFANO VALDO +
Structure and supramolecular organization of substituted polythiophenes 1-gen-2007 AROSIO, PAOLOFAMULARI, ANTONINOMEILLE, STEFANO VALDOMORENO, MARGHERITARAOS, GUIDO
Equilibrium dynamics of an associating polymer melt in narrow slits by computer simulation 1-gen-2007 ALLEGRA, GIUSEPPERAOS, GUIDO +
Interaction of Water with the Model Ionic Liquid [bmim][BF4]: Molecular Dynamics Simulations and Comparison with NMR Data 1-gen-2008 MORENO, MARGHERITACASTIGLIONE, FRANCAMELE, ANDREARAOS, GUIDO +
Theories and simulations of polymer-based nanocomposites: From chain statistics to reinforcement 1-gen-2008 ALLEGRA, GIUSEPPERAOS, GUIDO +
Structural Organization and Transport Properties of Novel Pyrrolidinium-Based Ionic Liquids with Perfluoroalkyl Sulfonylimide Anions 1-gen-2009 CASTIGLIONE, FRANCARAOS, GUIDOFAMULARI, ANTONINOMELE, ANDREA +
Ordered Stacking of Regioregular Head-to-Tail Polyalkylthiophenes: Insights from the Crystal Structure of Form I' Poly(3-n-butylthiophene) 1-gen-2009 FAMULARI, ANTONINORAOS, GUIDOMEILLE, STEFANO VALDO +
Molecular Modeling of Crystalline Alkylthiophene Oligomers and Polymers 1-gen-2010 CASALEGNO, MOSE'RAOS, GUIDOMEILLE, STEFANO VALDO +
Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions 1-gen-2010 CASALEGNO, MOSE'RAOS, GUIDO +
Form II poly(3-butylthiophene): crystal structure and preferred orientation in spherulitic thin films 1-gen-2010 RAOS, GUIDOMEILLE, STEFANO VALDO +
Blending ionic liquids: how physico-chemical properties change 1-gen-2010 CASTIGLIONE, FRANCARAOS, GUIDOFAMULARI, ANTONINOMELE, ANDREA +
Coarse-Grained Molecular Dynamics Simulations of Nylon-6 Nanofibers 1-gen-2011 MILANI, ALBERTOCASALEGNO, MOSE'CASTIGLIONI, CHIARARAOS, GUIDO
Nonequilibrium simulations of filled polymer networks: Searching for the origins of reinforcement and nonlinearity 1-gen-2011 RAOS, GUIDOCASALEGNO, MOSE'
Coarse-Grained Simulations of Model Polymer Nanofibres 1-gen-2011 MILANI, ALBERTOCASALEGNO, MOSE'CASTIGLIONI, CHIARARAOS, GUIDO
Combined diffraction and modelling approaches: a key for an atomistic understanding of the structure and properties of polythiophenes? 1-gen-2011 M. CasalegnoFAMULARI, ANTONINORAOS, GUIDOMEILLE, STEFANO VALDO +
Combined diffraction and modelling approaches: a key for an atomistic understanding of the structure and properties of polythiophenes? 1-gen-2011 M. CasalegnoFAMULARI, ANTONINORAOS, GUIDOMEILLE, STEFANO VALDO +
Unexpected Inversion in Preferential Stability of Gauche Over Anti Conformers of Alkylaromatics’Side Chains 1-gen-2012 FAMULARI, ANTONINOBAGGIOLI, ALBERTOMEILLE, STEFANO VALDORAOS, GUIDO
Materials for organic photovoltaics: insights from detailed structural models and molecular simulations 1-gen-2012 CASALEGNO, MOSE'BAGGIOLI, ALBERTOFAMULARI, ANTONINOMEILLE, STEFANO VALDONICOLINI, TOMMASORAOS, GUIDO +
Molecular dynamics simulations of the solvent- and thermal history-dependent structure of the PCBM fullerene derivative 1-gen-2012 CASALEGNO, MOSE'NICOLINI, TOMMASOMEILLE, STEFANO VALDORAOS, GUIDO +
Organic Peracids: A Structural Puzzle for 17O NMR and Ab InitioChemical Shift Calculations 1-gen-2012 CASTIGLIONE, FRANCABAGGIOLI, ALBERTOCITTERIO, ATTILIOMELE, ANDREARAOS, GUIDO
Molecular dynamics simulation of rupture in glassy polymer bridges within filler aggregates 1-gen-2012 RAOS, GUIDO +
Coarse-grained kinetic modelling of bilayer heterojunction organic solar cells 1-gen-2012 CASALEGNO, MOSE'RAOS, GUIDO +
A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers 1-gen-2012 FAMULARI, ANTONINORAOS, GUIDOBAGGIOLI, ALBERTOCASALEGNO, MOSE'MEILLE, STEFANO VALDO +
Monomer conformations for poly(3-alkylthiophene) atomistic models 1-gen-2013 FAMULARI, ANTONINOBAGGIOLI, ALBERTORAOS, GUIDOMEILLE, STEFANO VALDO
Polymorphism in organic electronic materials: PCBM as a case study 1-gen-2013 RAOS, GUIDOMosè CasalegnoFAMULARI, ANTONINOMEILLE, STEFANO VALDO +
Substituted fullerenes in the solid state: phenyl-C61- butyric acid methyl ester and its cocrystals 1-gen-2013 NICOLINI, TOMMASORAOS, GUIDOFAMULARI, ANTONINOMEILLE, STEFANO VALDO
Regioregular Poly(3-octylthiophene): Diffraction studies and computational modeling 1-gen-2013 NICOLINI, TOMMASORAOS, GUIDOBAGGIOLI, ALBERTOMosè CasalegnoFAMULARI, ANTONINOMEILLE, STEFANO VALDO +
Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models 1-gen-2013 BAGGIOLI, ALBERTOCASTIGLIONE, FRANCARAOS, GUIDO +
Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics 1-gen-2013 CASALEGNO, MOSE'NICOLINI, TOMMASORAOS, GUIDOMEILLE, STEFANO VALDO +
Numerical simulation of photocurrent generation in bilayer organic solar cells: Comparison of master equation and kinetic Monte Carlo approaches 1-gen-2013 CASALEGNO, MOSE'RAOS, GUIDO +
Improving the efficiency of P3HT:perylene diimide solar cells via bay-substitution with fused aromatic rings 1-gen-2013 FAMULARI, ANTONINORAOS, GUIDO +
Pulling Polymers on Energetically Disordered Surfaces: Molecular Dynamics Tests of Linear and Non-linear Response 1-gen-2013 RAOS, GUIDO +
Intramolecular CH/π interactions in alkylaromatics: Monomer conformations for poly(3-alkylthiophene) atomistic models 1-gen-2013 BAGGIOLI, ALBERTOMEILLE, STEFANO VALDORAOS, GUIDOFAMULARI, ANTONINO +
An Effective Two-Orbital Quantum Chemical Model for Organic Photovoltaic Materials 1-gen-2013 RAOS, GUIDOCASALEGNO, MOSE'IDE', JULIEN
Pyrazolium- versus imidazolium-based ionic liquids: Structure, dynamics and physicochemical properties 1-gen-2013 MENDOLA, DANIELECASTIGLIONE, FRANCAFAMULARI, ANTONINORAOS, GUIDOMELE, ANDREA +
Electron transport in crystalline PCBM-like fullerene derivatives: a comparative computational study 1-gen-2014 IDE', JULIENCASALEGNO, MOSE'MEILLE, STEFANO VALDORAOS, GUIDO +
Pyrrolidinium-Based Ionic Liquids Doped with Lithium Salts: How Does Li+ Coordination Affect Its Diffusivity? 1-gen-2014 CASTIGLIONE, FRANCAFAMULARI, ANTONINORAOS, GUIDOMEILLE, STEFANO VALDOMELE, ANDREA +
Impact of Interaction Strength and Surface Heterogeneity on the Dynamics of Adsorbed Polymers 1-gen-2014 RAOS, GUIDOIDE', JULIEN
The effect of donor content on the efficiency of P3HT:PCBM bilayers: optical and photocurrent spectral data analyses 1-gen-2015 CASALEGNO, MOSE'RAOS, GUIDO +
Hydrophobic aggregation and collective absorption of dioxin into lipid membranes: insights from atomistic simulations 1-gen-2015 CASALEGNO, MOSE'RAOS, GUIDO +
17O NMR: A "Rare and Sensitive" Probe of Molecular Interactions and Dynamics 1-gen-2015 CASTIGLIONE, FRANCAMELE, ANDREARAOS, GUIDO
Glassy dynamics of a polymer monolayer on a heterogeneous disordered substrate 1-gen-2015 RAOS, GUIDO +
Mostrati risultati da 51 a 100 di 131
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