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5762016Şologan, Maria; Marson, Domenico; Polizzi, Stefano; Pengo, Paolo; Boccardo, Silvia; Pricl, Sabrina; Posocco, Paola; Pasquato, Lucia2016; 10:9316-9325ACS NanoPatchy and Janus Nanoparticles by Self-Organization of Mixtures of Fluorinated and Hydrogenated Alkanethiolates on the Surface of a Gold Core
5742016Laurini, Erik; Posocco, Paola; Fermeglia, Maurizio; Pricl, Sabrina2016; 15:24-33Journal of Computational ScienceMoDeNa Nanotools: An integrated multiscale simulation workflow to predict thermophysical properties of thermoplastic polyurethanes
5752016Posocco, P.; Hassan, Y. Mohamed; Barandiaran, I.; Kortaberria, G.; Pricl, S.; Fermeglia, M.2106; 120:7403-7411Journal of Physical Chemistry. C Combined Mesoscale/Experimental Study of Selective Placement of Magnetic Nanoparticles in Diblock Copolymer Films via Solvent Vapor Annealing
5612016Posocco P, Perazzo A, Preziosi V, Laurini E, Pricl S, Guido S.2016; 6:4723-4729.RSC AdvancesInterfacial tension of oil/water emulsions with mixed non-ionic surfactants: comparison between experiments and molecular simulations
5722016Z. Posel, P. Posocco, M. Lısal, M. Fermeglia, S. Pricl2016; 12:3600-3611Soft MatterLink to PDF DocumentHighly grafted polystyrene/polyvinylpyridine polymer gold nanoparticles in a good solvent: effects of chain length and composition
5462015Chendo C, Moreira G, Tintaru A, Posocco P, Laurini E, Lefay C, Gigmes D, Viel S, Pricl S, Charles L.2015;26(9):1483-1493.Journal of the American Society for Mass SpectroscopyAnomerization of acrylated glucose during traveling wave ion mobility spectrometry
5422015Piscitelli M, Buonocore G, Lavorgna M, Verdolotti L, Pricl S, Gentile G, Mascia L.2015;63:222-229.PolymerPeculiarities in the structure-properties relationship of epoxy-silica hybrids with highly organic siloxane domains.
5292014Posocco P., Pricl S., Fermeglia M.2014; pp:21-49.in “Sol-Gel Nanocomposites. Advances in Sol-Gel Derived Materials and Technologies””, Eds: Massimo Guglielmi, Guido Kickelbick, Alessandro Martucci, Springer 2014Modelling and Simulation of Sol-Gel Nanocomposites
5112013Fermeglia M., Posocco P., Pricl S.2013;20(6):379-94.Composite InterfacesNano tools for macro problems: Multiscale molecular modeling of nanostructured polymer systems
4932013Posocco P., Pricl S., Fermeglia M.Wiley-VCH Verlag GmbH & Co. KGaA DOI: 10.1002/9783527644346.ch5 - 1:95-128 (2013)In "Modeling and Prediction of Polymer Nanocomposite Properties" edited by Vikas MittalMultiscale Modeling Approach for Polymeric Nanocomposites
5062013Tintaru A, Pricl S, Denbigh L, Liu X, Peng L, Charles L.2013;354-355:235-41.International Journal of Mass SpectrometryConformational changes of small PAMAM dendrimers as a function of their charge state: A combined electrospray mass spectrometry, traveling-wave ion mobility and molecular modeling study
5142013Tanis I., Karatasos K., Posocco P., Laurini E., Pricl S.2013;331-332:34–42.Macromolecular SymposiaComplexes between poly(amido amine) dendrimers and poly(methacrlyic acid): insight from molecular dynamics simulations
4902013Posel Z., Posocco P., Fermeglia M., Lisal M., Pricl S.2013;9:2936-46. Soft MatterModeling hierarchically structured nanoparticle/diblock copolymer systems
4672012Nieto DR, Santese F, Toth R, Posocco P, Pricl S, Fermeglia M2012, 4 (6), 2855–2859.ACS Applied Materials and InterfacesLink to PDF DocumentSimple, Fast, and Accurate In silico Estimations of Contact Angle, Surface Tension, and Work of Adhesion of Water and Oil Nanodroplets on Amorphous Polypropylene Surfaces.
4792012Posocco P, Gentilini C, Bidoggia S, Pace A, Franchi P, Lucarini M, Fermeglia M, Pricl S, Pasquato L.2012, 6(8):7243-53.ACS NanoLink to PDF DocumentSelf-Organization of Mixtures of Fluorocarbon and Hydrocarbon Amphiphilic Thiolates on the Surface of Gold Nanoparticles.
4772012Yi Xia, Stephane Viel, Yang Wang, Fabio Ziarelli, Erik Laurini, Paola Posocco, Maurizio Fermeglia, Fanqi Qu, Sabrina Pricl, Ling Peng2012;48(36):4284-6.Chemical CommunicationsRationalizing the F...S Interaction Discovered within a Tetrafluorophenylazido-containing Bola-Phospholipid
4612012Toth R., Santese F., Pereira S.P., Romero-Nieto D., Pricl S., Fermeglia M., Posocco P.2012, 22, 5398-5409.Journal of Materials ChemistryLink to PDF DocumentSize and shape matter! A multiscale molecular simulation approach to polymer nanocomposites
4882012Castillo U.J, Zolotukhin M.G., Fomina L, Romero Nieto D., Olivera Garza L., Fomine S.DOI 10.1007/s00894-012-1610-1Journal of Molecualar modelingLink to PDF DocumentReactions of ketones with aromatics in acid media. The effect of trifluoromethyl groups and the acidity media. A theoretical study
4602011Pereira S.P, Scocchi G., Toth R., Posocco P., Romero-Nieto D., Pricl S., Fermeglia M.3:151-176(2011) Journal of Multiscale ModellingLink to PDF DocumentMultiscale modeling of polymer/clay nanocomposites
4472010Piscitelli F., Posocco P., Toth R., Fermeglia M., Pricl S., Mensitieri G., Lavorgna M.351:108-115 (2010)Journal of Colloid and Interface ScienceLink to PDF DocumentSodium Montmorillonite silylation: unexpected effect of the aminosilane chain length
4492010Posocco P., Posel Z., Fermeglia M., Lisal M., Pricl S.20:10511-10520 (2010)Journal of Materials ChemistryLink to PDF DocumentA molecular simulation approach to the prediction of the morphology of self-assembled nanoparticles in diblock copolymers
3842010Cosoli P., Fermeglia M., Ferrone M.,19: 72-87 (2010)Journal of Soil and Sediment ContaminationMolecular Simulation of Atrazine Adhesion and Diffusion in a Saturated Sand Model, Journal of Soil and Sediment Contamination
3982009Scocchi G,;Posocco P., Handgraaf J.W., Fraaije J.G.E.M., Fermeglia M., Pricl, S.15:7586-7592(2009)Chemistry - A European JournalLink to PDF DocumentA complete multiscale modelling approach for polymer-clay nanocomposites.
4062009Fermeglia M., Pricl S.33:1701-1710 (2009)Computers & Chem.EngLink to PDF DocumentMultiscale molecular modeling in nanostructured material design and process system engineering
4252009Pricl S.In "Handbook of Nanophysics", (seven volume set) edited by Klaus D. SattlerPolymer Clay Nanocomposites
3862009Fermeglia M., Pricl S.1: 261-270 (2009)In "IUTAM Symposium on Modelling Nanomaterials and Nanosystems", edited by Pyrz R. and Rauhe J.C., Springer-Verlag, Berlin, D (2009)Link to PDF DocumentMultiscale molecular Mmdelling of dispersion of nanoparticles in polymer systems of industrial interest
4342009Toth R., Voorn D.-J., Handgraaf J.-W., Fraaije J.G.E.M., Fermeglia M., Pricl S., Posocco P.42:8260-8270 (2009)MacromoleculesLink to PDF DocumentMultiscale computer simulation studies of water-based montmorillonite/poly(ethylene oxide) nanocomposites
3932008Fermeglia M., Maly M., Posocco P., Pricl S.54: 265-269 (2008)Advances in Science and TechnologyLink to PDF DocumentMultiscale Molecular Modeling of Hybrid Organic-Inorganic Nanocomposites of Type I and II
3852008Lisal M., Cosoli P., Smith W.R., Jain S.K., Gubbins K.E.235: 18-31 (2008)Fluid Phase EquilibriaLink to PDF DocumentMolecular-level simulations of chemical reaction equilibrium for nitric oxide dimerization reaction in disordered nanoporous carbons
3952008Fermeglia M., Pricl S.1: 225-242 (2008)In 'Chemical Engineering Greetings to prof. Eliseo Ranzi' edited by M. Dente, AIDIC Milano, 2008Multiscale molecular modeling for the design of nanostructured materials
3612008Maly M., Posocco P., Pricl S., Fermeglia M.47: 5023-5038 (2008)Industrial & Engineering Chemistry ResearchLink to PDF DocumentSelf-Assembly of Nanoparticle Mixtures in Diblock Copolymers: Multiscale Molecular Modeling
3692008Mensitieri G., Larobina D., Guerra G., Venditto V., Fermeglia M., Pricl S.46:8-15 (2008)Journal of Polymer Science, Part B: Polymer PhysicsLink to PDF DocumentChloroform sorption in nanoporous crystalline and amorphous phases of syndiotactic polystyrene.
3432008Cosoli P., Scocchi G., Pricl S., Fermeglia M.107: 169-179 (2008)Microporous and Mesoporous MaterialsLink to PDF DocumentMany-scale molecular simulation for ABS-MMT nanocomposites: upgrading of industrial scraps
3672008Maly M., Posocco P., Fermeglia M., Pricl S34: 1215-1236 (2008)Molecular SimulationLink to PDF DocumentScripting approach in hybrid organic-inorganic condensation simulation: the GPTMS proof-of-concept.
3732008Cosoli P., Fermeglia M., Ferrone M.34: 1231-1327 (2008)Molecular SimulationLink to PDF DocumentGCMC Simulations in Zeolite MFI and Activated Carbon for Benzene Removal from Exhaust Gaseous Streams
3922008Martin L., Kortaberria G., Vazquez A., Fermeglia M., Martinelli L., Sinesi S., Jimeno A., de la Caba K., Mondragon I.29: 782-790 (2008)Polymer CompositesLink to PDF DocumentA comparative study of nanocomposites based on a recycled poly(methyl methacrylate) matrix containing several nanoclays.
3712008Cosoli P., Ferrone M., Pricl S., Fermeglia M.145:86-92 (2008)The Chemical Engineering JournalLink to PDF DocumentHydrogen sulphide removal from biogas by zeolite adsorption-part I: GCMC molecular simulations
3722008Cosoli P., Ferrone M., Pricl S., Fermeglia M.145:93-99 (2008)The Chemical Engineering JournalLink to PDF DocumentHydrogen sulphide removal from biogas by zeolite adsorption-part II: a MD simulation
3442007Cosoli P., Fermeglia M., Ferrone M., Posocco P., Pricl S., Scocchi G.9: 89-94 (2007)Chemical Engineering TransactionLink to PDF DocumentNew materials from multiscale modelling procedures: properties prediction and customisation of polymeric nanocomposites
3522007Scocchi G., Posocco P., Danani A., Pricl S., Fermeglia M.261:366-374 (2007)Fluid Phase EquilibriaLink to PDF DocumentTo the nanoscale and beyond! Multiscale molecular modelling of polymer-clay nanocomposites
3142007Cosoli P., Ferrone M., Pricl S., Fermeglia M.7: 228-243 (2007)International Journal of Enviromental Technology and managementGrand canonical Monte Carlo simulations for VOCs adsorption in non-polar zeolites
3482007Scocchi G., Posocco P., Fermeglia M., Pricl S.111: 2143-2151 (2007)Journal of Physical Chemistry BLink to PDF DocumentPolymer-Clay Nanocomposites: A Multiscale Molecular Modeling Approach
4272007Carta A., Loriga M., Piras S., Paglietti G., Ferrone M., Fermeglia M., Pricl S., La Colla P., Collu G., Sanna T., Loddo R.3: 520-532 (2007)Medicinal ChemistrySynthesis and anti-picornaviridae in vitro activity of a new class of helicase inhibitors the N,N bis[4-(1H(2H)-benzotriazol-1(2)-yl)phenyl] alkyldicarboxamides
3252007Fermeglia M., Pricl S.58:187-199 (2007)Progress in Organic CoatingsLink to PDF DocumentMultiscale modeling for polymer systems of industrial interest
3062006Fermeglia M., Ferrone M., Cosoli P., Paneni M.S., Venica R., Sinesi S., Posocco P., Martinelli L.51: 134-139 (2006)Advances in Science and TechnologyLink to PDF DocumentMany-scale simulation of ABS/PC blends for the automotive industry
3382006Fermeglia M., Braiuca P., Gardossi L., Pricl S., Halling P.J.22: 1146-1152 (2006)Biotechnology ProgressLink to PDF DocumentIn Silico Prediction of Medium Effects on Esterification Equilibrium Using the COSMO-RS Method
3232006Fermeglia M., Cosoli P., Ferrone M., Piccarolo S., Mensitieri G., Pricl S.47:5979-5989 (2006)PolymerLink to PDF DocumentPET/PEN Blends of Industrial Interest as Barrier Materials Part I: Many-Scale Molecular Modeling of PET/PEN Blends.
2792004Coslanich A., Fermeglia M., Ferrone M., Paneni M.S., Pricl S., Martinelli L., Sinesi S.Part A - 42: 61-75 (2004)Advances in Science and TechnologyLink to PDF DocumentDiblock copolymers for the automotive industry: the mesoscopic approach
2502004Fermeglia M., Ferrone M., Pricl S.30:289-300 (2004)Molecular SimulationLink to PDF DocumentEstimation of the binding energy in random poly (butylene terephtalate-co-thiodiethylene terephtalate) copolyesters / clay nanocomposites via molecular simulation
2582004Toth R., Coslanich A., Ferrone M., Fermeglia M., Pricl S., Miertus S., Chiellini E.45:8075-8083 (2004)PolymerLink to PDF DocumentComputer simulation of polypropylene/organoclay nanocomposites: characterization of atomic scale structure and prediction of binding energy
2292003Pricl S., Fermeglia M., Ferrone M., Carrion P.1: 32-51 (2003)Annals of The European Academy of SciencesLink to PDF DocumentShape-persistent polyphenylene dendrimers: a computational study
2302003Pricl S., Fermeglia M., Ferrone M., Asquini A.41: 2269-2283 (2003)CarbonLink to PDF DocumentScaling properties in the molecular structure of three-dimensional, nanosized phenylene-based dendrimers as studied by atomistic molecular dynamics simulations
1572003Pricl S., Fermeglia M.190:1267-1292 (2003)Chemical Engineering CommunicationsLink to PDF DocumentAtomistic molecular dynamics simulations of gas diffusion and solubility in rubbery amorphous hydrocarbon polymers
1992003Fermeglia M., Ferrone M., Pricl S.212: 315-329 (2003)Fluid Phase EquilibriaLink to PDF DocumentComputer Simulation of nylon/organoclay nanocomposites: prediction of the binding energy
2002003Fermeglia, M., Ferrone,M., Pricl, S.210: 105-116 (2003)Fluid Phase EquilibriaLink to PDF DocumentDevelopment of an all-atoms force field from ab-initio calculations for alterative refrigerants
1672002Elvassore N., Bertucco A., Fermeglia M.48: 359-368 (2002)AIChE JournalLink to PDF DocumentPhase equilibria calculation by Group-contribution Perturbed Hard Sphere Chain Equation of state
1582002Milocco O., Fermeglia M., Pricl S.199:15-21 (2002)Fluid Phase EquilibriaLink to PDF DocumentPrediction of thermophysical properties of alternative refrigerants by computational chemistry
1982002Felluga, F., Fermeglia, M., Ferrone, M., Pitacco, G., Pricl, S., Valentin, E.85: 4046-4054 (2002)Helvetica Chimica ActaLink to PDF DocumentChemo-Enzymatic Synthesis and Determination of the Absolute Configuration of Both Enantiomers of trans 5-Oxo-2-pentyl-3-pyrolidine Carboxylic acid Precursor of the Aza Analogues of (+) and (-) Methylenolactocin
1482001M. Fermeglia, S. Pricl47: 2371-2382 (2001)AIChE JournalLink to PDF DocumentPrediction of Phase Equilibria for Binary Mixtures by Molecular Modeling
1502001M. Fermeglia, S. Pricl, A. Klamt97: 191-194 (2001)AIChE Symposium SeriesPrediction of thermophysical properties of mixtures using molecular simulations based on density functional theory
1762001Torriano, G., Pricl, S.40:204-210 (2001)Rheologica ActaLink to PDF DocumentClear and Pigmented water epoxy systems: a study on the hardening kinetics on the basis of the variations of the viscoelastic moduli.
1492001M. Fermeglia, S.Pricl40: 104-110 (2001)Rheologica ActaLink to PDF DocumentVirtual rheological experiments on linear alkane chains confined between titanium walls
1282000Favari F., Bertucco A., Elvassore N., Fermeglia M.55: 2379-2392 (2000)Chemical Eng. ScienceLink to PDF DocumentMultiphase multicomponent equilibria for mixtures containing polymers by the perturbation theory.
1442000Blasizza E., Fermeglia M., Pricl S.24: 167 (2000)Molecular SimulationDendrimers as functional materials. A molecular dynamics simulation study of poly(propylene) imine starburst molecules.
1371999Fermeglia M., Pricl S.45: 2619-2627 (1999)AIChE JournalLink to PDF DocumentEquation of state parameters for pure polymers by molecular dynamics simulations.
1961999Grassi, M.;Lapasin, R.;Pricl, S.;173:147-173(1999)Chemical Engineering CommunicationsThe effect of drug dissolution on drug release from swelling polymeric matrices: Mathematical modeling
1291999Pricl S., Fermeglia M.166: 21-37 (1999)Fluid Phase EquilibriaLink to PDF DocumentA novel approach to thermophysical properties prediction in fluid phase equilibria.
1101999Fermeglia M., Pricl S.158-160: 49-58 (1999)Fluid Phase EquilibriaLink to PDF DocumentMolecular dynamic simulation of real systems: application to chloro-fluoro-hydrocarbons and polymers.
1111999Bertucco A., Elvassore N., Fermeglia M., Prausnitz J.M.158-160: 183-191 (1999)Fluid Phase EquilibriaLink to PDF DocumentA perturbed-hard-sphere-chain equation of state for phase equilibria of mixtures containing a refrigerant and a lubricant oil.
1131998Fermeglia M., Bertucco A., Bruni S.17: 3117-3128 (1998)Chemical Eng. ScienceLink to PDF DocumentA perturbed hard sphere chain equation of state for applications to hydrofluorocarbons, hydrocarbons and their mixtures.
1871998Lapasin, R.;Pricl, S.;Sirtori, V.;Casati, D.;27:138-148(1998)Journal of Electronic MaterialsViscoelastic properties of solder pastes
1041997Fermeglia M., Bertucco A., Patrizio D. 52: 1517-1527 (1997)Chemical Eng. ScienceLink to PDF DocumentThermodynamic properties of pure hydrofluorocarbons by a perturbed hard sphere chain equation of state.
2271997Copetti, G.;Grassi, M.;Lapasin, R.;Pricl, S.;14:951-961(1997)Glycocojugate JournalSynergistic gelation of xanthan gum with locust bean gum: A rheological investigation
2891997Colombo, I.;Grassi, M.;Lapasin, R.;Pricl, S.;47:305-314(1997)Journal of Controlled ReleaseLink to PDF DocumentDetermination of the drug diffusion coefficient in swollen hydrogel polymeric matrices by means of the inverse sectioning method
1971996Grassi, M.;Lapasin, R.;Pricl, S.;29:169-181(1996)Carbohydrate PolymersA study of the rheological behavior of scleroglucan weak gel systems
2511996Grassi, M.;Lapasin, R.;Pricl, S.;Colombo, I.;155:89-112(1996)Chemical Engineering CommunicationsApparent non-Fickian release from a scleroglucan gel matrix
4301996Lapasin, R., Grassi, M., Pricl, S.64:99-106(1996)Chemical Engineering Journal and the Biochemical Engineering JournalLink to PDF DocumentRheological modeling of fractal and dense suspensions
1011996Colombo I., Grassi M., Fermeglia M., Lapasin R., Pricl. S.116: 148-161 (1996)Fluid Phase EquilibriaLink to PDF DocumentModeling phase transitions and sorption desorption kinetics in thermo-sensitive gels for controlled drug delivery systems.
2561996Adrover, A.;Giona, M.;Grassi, M.;Lapasin, R.;Pricl, S.;113:7-20(1996)Journal of Membrane ScienceLink to PDF DocumentControlled release of theophylline from water-swollen scleroglucan matrices
961996Donaggio F., Fermeglia M., DeLeeuw V.9: 207-215 (1996)The Journal of Supercritical FluidsLink to PDF DocumentPrediction of high pressure multicomponent phase equilibria using a perturbed hard chain equation of state.
4331995Lapasin R, De Lorenzi L., Pricl S., Torriano G.28: 195-202 (1995)Carbohydrate PolymersFlow properties of hydroxypropyl guar gum and its long-chain hydrophobic derivatives
4291995De Lorenzi, L., Pricl, S., Torriano, G.5:661-671(1995)International Dairy JournalLink to PDF DocumentRheological behaviour of low-fat and full-fat stirred yoghurt
2431995Grassi, M.;Lapasin, R.;Pricl, S.;Colombo, I.;1:364-365(1995)Proceedings of the Controlled Release SocietyAnalysis and modeling of release experiments
821993Fermeglia M., Kikic I., 48: 3889-3896 (1993)Chemical Eng. ScienceLink to PDF DocumentThe perturbed hard chain theory for the prediction of supercritical fluid extraction: binary mixtures.
4311992Lapasin, R., Pricl, S., Bertocchi, C., Navarini, L., Cesaro, A., De Philippis, R.17:1-10(1992)Carbohydrate PolymersRheology of culture broths and exopolysaccharide of Cyanospira capsulata at different stages of growth
2521992Lapasin, Romano;Pricl, Sabrina;Tracanelli, Paolo;46:1713-1722(1992)Journal of Applied Polymer ScienceCarboxymethyl starch: A rheological study
4321991Lapasin, R., Pricl, S., Tracanelli, P.14:411-427(1991)Carbohydrate PolymersRheology of hydroxyethyl guar gum derivatives
701991Gregorowicz J., Fermeglia M., Soave G., Kikic I., 46: 1427-1436 (1991)Chemical Eng. ScienceLink to PDF DocumentThe perturbed hard chain theory for the prediction of supercritical fluid extraction: pure component properties.
711991Kikic I., Fermeglia M., Rasmussen P., 46: 2775-2780 (1991)Chemical Eng. ScienceLink to PDF DocumentUNIFAC prediction of vapor-liquid equilibria in mixed solvent/salt systems.
591989Alessi P., Cortesi A., Fermeglia M., Fontana M., Kikic I., 53: 397-406 (1989)Fluid Phase EquilibriaPrediction of solubility in heavy ends by means of PHCT.
441987Fermeglia M., Mollerup J., 1: 95-100 (1987)Chem. Biochem. Eng. Q.Pure component vapour pressures by means of a hard sphere equation of state.
201984Fermeglia M., Kikic I., 29: 687-695 (1984)Journal of Thermal AnalysisExcess enthalpy calculations by means of equations of state.