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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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Innovative Materials and Methods for the Removal of Pollutants from the Environment
| Innovative Materials and Methods for the Removal of Pollutants from the Environment |
| Autore | Bisio Chiara |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (342 p.) |
| Soggetto topico |
Research & information: general
Environmental economics Pollution control |
| Soggetto non controllato |
green-removal
tangerine peels activated carbon agriculture waste acetamiprid pesticide enzymatic hydrolysis lignin sequential dissolution fractionation methylene blue adsorption capacity CuFe2O4 nano-particles CuFe2O4/PANI composite mercury (II) removal adsorption biochar pyrolysis heavy metals soil remediation bioavailability biomass waste N doped carbon dots Cd (II) mechanism water remedy green adsorbents pineapple leaves rose bengal (RB) dye face-centered central composite design (FCCCD), percentage removal (%R) adsorption capacity (qe) phosphorus removal toxic metals alginate beads sewage sludge BC sequential extraction copper carbon-silicon interaction bioremediation toxic pollutants extreme conditions extremophilic microorganism non-thermal plasma (NTP) exhaust emission internal combustion engine ion chemical reaction insensitive munitions 3-nitro-1,2,4-triazol-5-one (NTO) industrial wastewater vetiver grass phytoremediation phytoextraction ammonia ammonium recovery Freundlich intraparticle diffusion isoelectric state Langmuir pseudo-second-order Temkin zeolite high-strength wastewater sludge liquor chitosan adsorbent carbon graphene oxide silica magnetic separation dyes Langmuir isotherm breakthrough curve defluoridation up-flow mode volcanic rocks toluene rhodamine B water stability of monolith nanosorbent regeneration α-NiMoO4 methylene blue removal zirconium phosphate wastewater pollutants ion exchange heterogeneous photocatalysis nanomaterials rare earth metals wastewater treatment pollutants |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557473003321 |
Bisio Chiara
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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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Magnetic and Spin Devices
| Magnetic and Spin Devices |
| Autore | Sverdlov Viktor |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (84 p.) |
| Soggetto topico |
Research & information: general
Physics |
| Soggetto non controllato |
magnetic contacts
reliability practical tests reaction distance extreme conditions spin-orbit torque MRAM reinforcement learning two-pulse switching scheme magnetic field-free switching machine learning torque the calculation in memory automation magnetic recording magnetic read heads current perpendicular-to-the-plane giant magnetoresistance Heusler alloys bit-patterned media exchange-coupled-composite media microwave-assisted magnetic recording hysteresis loop combined spin-transfer torque (STT) and spin-orbit torque (SOT) switching field like torque damping like torque magnetic tunnel junction |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566483803321 |
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Sverdlov Viktor
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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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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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