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Advances in Molecular Simulation
| Advances in Molecular Simulation |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (288 pages) |
| Soggetto topico | Technology |
| Soggetto non controllato |
molecular dynamics simulation
osmosis water transport nanochannel carbon nanotube graphene osmolyte compartment rhodopsins spectral properties of rhodopsins spectral tuning in rhodopsins engineering of red-shifted rhodopsins photobiology biological photosensors molecular modeling multiscale coarse graining Monte Carlo simulation force fields neural network many body interactions sampling local sampling local free energy landscape generalized solvation free energy molecular solvation theory three-dimensional reference interaction site model Kovalenko-Hirata closure biomolecular simulation multiple time step MD protein-ligand binding biomolecular solvation antibody epitope molecular dynamics mutation toll-like receptor GPU programming DNA damage proton transport drag reduction surfactant molecules self-assembly coarse-grained molecular simulation numerical method laser-matter interaction time-dependent Schrödinger equation time-dependent unitary transformation method strong-field ionization Kramers-Henneberger frame hairy nanoparticles adsorption on nanoparticles nanocarriers computer simulations COVID-19 SARS-CoV-2 PF-07321332 α-ketoamide 3CL protease main protease DFT CASTEP aiMD ab initio molecular dynamics phase transition polymorphism Janus particles phase transitions gemini force field parametrisation antimicrobial membranes colloids with competing interactions periodic microphases confinement Monte Carlo atomistic simulation molecular simulation hard sphere extreme conditions nanocomposites cluster crystallization atomic structure packing semi-flexible polymers order parameter |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557587203321 |
| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Exclusive Papers of the Editorial Board Members (EBMs) of the Materials Chemistry Section of Molecules
| Exclusive Papers of the Editorial Board Members (EBMs) of the Materials Chemistry Section of Molecules |
| Autore | Cirillo Giuseppe |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (294 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
hypergolic reactions
sodium peroxide carbon nanosheets fullerols useful energy gold nanoparticles photothermal effect nanoink inkjet printing secure writing anti-counterfeit crosslinking polymerization (curing) decomposition degradation liquid and solid state phase transitions thermal analysis colloidal heterostructures seed mediated growth heterogeneous nucleation PbS/TiO2 heterostructure TiO2 nanocrystal defects antiferromagnet double perovskite high-κ dielectric nickel tellurium tungsten central nervous system (CNS) blood–brain barrier (BBB) self-assembled polymeric nanoparticles intranasal delivery biodistribution dendrimers microwaves hexaazatrinaphthylenes graphene nanoplatelets honeycomb structures modified couple stress theory quasi-3d hyperbolic shear deformation theory sandwich structures vibration analysis polymer-derived ceramics nanocomposites TiN TiC Si3N4 SiC structural properties cross-coupling reactions microwave irradiation ultrasounds mechanochemistry solvent-free water ionic liquids deep eutectic solvents sustainability nanomaterials electrochemical sensors hydroxycinnamic acids caffeine nitrite lead halide perovskites sensors photoluminescence amplified spontaneous emission thin films hybrid hydrogels controlled drug delivery protein crystallization lysozyme |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Exclusive Papers of the Editorial Board Members |
| Record Nr. | UNINA-9910557364403321 |
Cirillo Giuseppe
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Fluctuation Relations and Nonequilibrium Thermodynamics in Classical and Quantum Systems
| Fluctuation Relations and Nonequilibrium Thermodynamics in Classical and Quantum Systems |
| Autore | De Chiara Gabriele |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (158 p.) |
| Soggetto topico | History of engineering & technology |
| Soggetto non controllato |
quantum Otto engine
Curzon–Ahlborn efficiency endoreversible quantum thermodynamics large deviations phase transitions condensation of fluctuations fluctuation relations magnetic cycle quantum otto cycle quantum thermodynamics quantum heat engines nonequilibrium systems ergotropy quantum correlations information thermodynamics collision model thermalization many-body quantum systems fluctuation relation Crooks equality coherence athermality photon added thermal state photon subtracted thermal state binomial states generalised coherent states laser cooling cavitation sonoluminescence fluctuation theorems collisional models |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557744503321 |
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De Chiara Gabriele
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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From Quantum Paraelectric/Ferroelectric Perovskite Oxides to High Temperature Superconducting Copper Oxides -- In Honor of Professor K.A. Müller for His Lifework
| From Quantum Paraelectric/Ferroelectric Perovskite Oxides to High Temperature Superconducting Copper Oxides -- In Honor of Professor K.A. Müller for His Lifework |
| Autore | Bussmann-Holder Annette |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (312 p.) |
| Soggetto topico |
Research & information: general
Mathematics & science |
| Soggetto non controllato |
ferroelastic
WO3 polarons polaronic superconductivity transition metal dichalcogenides magnetic semiconductor spintronics transition metal oxides lattice-spin-charge landscapes elasticity superconductivity cuprates magnetic penetration depth order parameter superconducting gap structure Kondo effect spin relaxation rate magnetic resonance strontium titanate quantum paraelectricity quantum fluctuations ferroelectricity isotope exchange external stress polar metal phase coexistence magnetoelectric multiglass Electron Paramagnetic Resonance (EPR) ENDOR Jahn-Teller color centers 3d impurities perovskite SrTiO3 18O isotope substitution SrTiO3/LaAlO3 interface heterostructure tungsten oxide phase separation cuprate superconductors electronic correlations NMR pseudogap perovskite crystals Pseudo-Jahn-Teller effect multiferroicity permittivity flexoelectricity polar nanoregions orientational polarization LSCO anti-Jahn-Teller effect first-principles calculation Kamimura-Suwa model spin-polarized band Hund's coupling spin-triplet and spin-singlet multiplets high-temperature superconductivity correlated Femi liquid charge density wave fluctuation strange metal coherence length granular superconductivity Mott transition BCS-BEC cross-over electron-phonon interaction topological insulator topological materials transition metal dichalcogenide helium atom scattering perovskite oxides phase transitions high-temperature cuprate superconductors |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557434003321 |
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Bussmann-Holder Annette
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Geometric Analysis of Nonlinear Partial Differential Equations
| Geometric Analysis of Nonlinear Partial Differential Equations |
| Autore | Lychagin Valentin |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (204 p.) |
| Soggetto topico |
Research & information: general
Mathematics & science |
| Soggetto non controllato |
adjoint-symmetry
one-form symmetry vector field geometrical formulation nonlocal conservation laws differential coverings polynomial and rational invariants syzygy free resolution discretization differential invariants invariant derivations symplectic contact spaces Euler equations shockwaves phase transitions symmetries integrable systems Darboux-Bäcklund transformation isothermic immersions Spin groups Clifford algebras Euler equation quotient equation contact symmetry optimal investment theory linearization exact solutions Korteweg–de Vries–Burgers equation cylindrical and spherical waves saw-tooth solutions periodic boundary conditions head shock wave Navier–Stokes equations media with inner structures plane molecules water Levi–Civita connections Lagrangian curve flows KdV type hierarchies Darboux transforms Sturm–Liouville clamped hinged boundary condition spectral collocation Chebfun chebop eigenpairs preconditioning drift error control |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557351103321 |
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Lychagin Valentin
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Many Body Quantum Chaos
| Many Body Quantum Chaos |
| Autore | Wimberger Sandro |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (222 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
quantum chaos
decoherence Arnol’d cat classical limit correspondence principle cold atoms interacting fermions thermalization dynamical chaos Sinai oscillator quantum tunneling dissipation effective action quantum transport nonlinear Schrödinger equation Gross-Pitaevskii equation Schrödinger-Poisson equation Bose-Einstein condensate dark matter periodically kicked system Lorentzian potential topological horseshoe uniformly hyperbolicity sector condition fractal Weyl law survival probability correlation functions semiclassical approximation revival dynamics Morse oscillator atom-optics kicked rotor quantum resonance continuous-time quantum walks Bose–Einstein condensates quantum interference Aubry-André model correlation hole fluctuation theorems nonequilibrium statistical mechanics quantum thermodynamics phase transitions Dirac bosons mean field analysis adiabatic separation trapped ions Frenkel–Kontorova long–range interactions sine-Gordon kink quantum kicked rotor Anderson localisation dynamical localisation |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557291003321 |
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Wimberger Sandro
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Modern Approaches to Non-Perturbative QCD and other Confining Gauge Theories
| Modern Approaches to Non-Perturbative QCD and other Confining Gauge Theories |
| Autore | Antonov Dmitry |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (298 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
quantum chromodynamics
confinement center vortex model vacuum structure cooling Lattice Gauge Theories Effective String Theories localization QCD lattice gauge theory finite temperature galaxy rotation curves low surface brightness dark matter dark energy ultralight axion particles cores halos mass-density profiles pure Yang-Mills theory monopoles topological interactions ensembles and effective fields topological solitons higher order theories gauge theory effective field theory magnetic flux symmetry chiral symmetry monopole lattice QCD spontaneous symmetry breaking Abelian projection magnetic catalysis magnetic disorder confinement models center vortices magnetic monopoles quark condensate topology lattice field theory dense matter phase transitions |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566474803321 |
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Antonov Dmitry
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Pressure-Induced Phase Transformations
| Pressure-Induced Phase Transformations |
| Autore | Errandonea Daniel |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (224 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
vanadate
zircon high pressure band gap phase transition optical absorption benzene phase I homogeneous melting Ostwald’s step rule molecular dynamics simulation metastable phase melting transition Fe electrical resistivity thermal conductivity heat flow thermal and chemical convection sesquioxides phase transitions Laue diffraction mechanisms of phase transitions reactivity tungsten rhenium carbon dioxide carbonates high-pressure high-temperature experiments quantum spin liquids frustrated magnets quantum phase transitions high-pressure measurements phase diagram quantum molecular dynamics melting curve Z methodology multi-phase materials epsomite dehydration reaction Raman spectra electrical conductivity high-pressure phase transitions molecular crystals computational methods DFT and Force Field methods energy calculations intermolecular interactions Landau theory nonlinear elasticity theory perovskites fullerenes polymerization pressure-induced Raman infrared laser laser-heated diamond anvil cell synchrotron radiation extreme conditions |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557286903321 |
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Errandonea Daniel
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Processing-Structure-Properties Relationships in Polymers
| Processing-Structure-Properties Relationships in Polymers |
| Autore | Pantani Roberto |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (400 p.) |
| Soggetto non controllato |
polymer blend
carbon nanotube polycaprolactone X-ray diffraction reactive blending copper clad laminate incremental forming uniaxial compression fatigue nanoparticles composite deformation polymer composite humidity model uniaxial tensile deformation injection molding SPIF bioresorbable polymers flow poly(ethylene terephthalate) morphology 3D printing/additive manufacturing supercritical CO2 polymer morphology tissue engineering and regenerative medicine microfibrillar composites polyamide 6 ultra-high molecular weight polyethylene chain orientation processing intrinsic viscosity conductive polymer composites microcellular injection molding ionic liquids poly(?-caprolactone) biaxial elongation biobased films crystalline morphology gel composites PLLA bioresorbable vascular scaffolds temperature layered double hydroxides epoxy microstructure nanoreinforcement shear collagen controllable gas permeability contact angle WAXS mechanical performance biodegradable nanofibers in situ X-ray foam polyolefin carbon black polymorphism degradation polypropylene XRD graphite polyimide film indentation ultra-high molecular weight polyethylene (UHMWPE) mold temperature evolution fused filament fabrication/fused deposition modelling polyvinyl butyral supercritical fluid conductive filler octakis[(3-glycidoxypropyl)dimethylsiloxy]octasilsesquioxane (GPOSS) supercritical N2 compression molding flame retardant epinephrine crystallinity ethylene vinyl acetate atomic force microscopy temperature sensitive mechanical properties crystallisation microencapsulation linear coefficient of thermal expansion (CTE) structure and properties PLA isotactic polypropylene lidocaine graphene structural analysis critical gel Harmonix AFM physicochemical characterization polyurethane cavitation curing rate orientation breathable film stress-induced phase transitions phase transitions SAXS hydrophobicity melamine polyphosphate PLGA compatibilizer polyoxymethylene (POM) homogeneous dispersion stretch blow molding electrical conductivity poly(lactic acid) |
| ISBN | 3-03921-881-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367739503321 |
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Pantani Roberto
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Properties of Transition Metals and Their Compounds at Extreme Conditions
| Properties of Transition Metals and Their Compounds at Extreme Conditions |
| Autore | Anzellini Simone |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (254 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
vanadate
kagome compound high pressure X-ray diffraction equation of state iodate infrared spectroscopy phase transitions grain refinement mechanical properties commercial purity aluminum zirconium Nb3Sn local atomic structure XAFS melting curves laser-heated diamond anvil cell extreme conditions synchrotron radiation transition metals iridium laser heating density-functional theory melting radial-distribution function quantum molecular dynamics melting curve solid-solid phase transition boundary multi-phase materials phase relation Earth's core iron alloys high-pressure high-temperature thermodynamics eutectic spacing Al-Si alloy superheat electrical resistivity iron sulfides high temperature Ganymede thermal convection creep testing ME21 magnesium alloy size effects miniature specimen PbTe substitutional disorder thermal expansion bulk modulus atomic displacement low temperature compression Debye temperature |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557539503321 |
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Anzellini Simone
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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