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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 online resource (288 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
3CL protease
ab initio molecular dynamics adsorption on nanoparticles aiMD antibody antimicrobial atomic structure atomistic simulation biological photosensors biomolecular simulation biomolecular solvation carbon nanotube CASTEP cluster coarse graining coarse-grained molecular simulation colloids with competing interactions compartment computer simulations confinement COVID-19 crystallization DFT DNA damage drag reduction engineering of red-shifted rhodopsins epitope extreme conditions force field force fields gemini generalized solvation free energy GPU programming graphene hairy nanoparticles hard sphere Janus particles Kovalenko-Hirata closure Kramers-Henneberger frame laser-matter interaction local free energy landscape local sampling main protease many body interactions membranes molecular dynamics molecular dynamics simulation molecular modeling molecular simulation molecular solvation theory Monte Carlo Monte Carlo simulation multiple time step MD multiscale mutation n/a nanocarriers nanochannel nanocomposites neural network numerical method order parameter osmolyte osmosis packing parametrisation periodic microphases PF-07321332 phase transition phase transitions photobiology polymorphism protein-ligand binding proton transport rhodopsins sampling SARS-CoV-2 self-assembly semi-flexible polymers spectral properties of rhodopsins spectral tuning in rhodopsins strong-field ionization surfactant molecules three-dimensional reference interaction site model time-dependent Schrödinger equation time-dependent unitary transformation method toll-like receptor water transport α-ketoamide |
| 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 online resource (342 p.) |
| Soggetto topico |
Environmental economics
Pollution control Research & information: general |
| Soggetto non controllato |
3-nitro-1,2,4-triazol-5-one (NTO)
acetamiprid pesticide adsorbent adsorption adsorption capacity (qe) agriculture waste alginate beads ammonia ammonium recovery BC bioavailability biochar biomass waste bioremediation breakthrough curve carbon carbon-silicon interaction Cd (II) chitosan copper CuFe2O4 nano-particles CuFe2O4/PANI composite defluoridation dyes enzymatic hydrolysis lignin exhaust emission extreme conditions extremophilic microorganism face-centered central composite design (FCCCD), percentage removal (%R) Freundlich graphene oxide green adsorbents green-removal heavy metals heterogeneous photocatalysis high-strength wastewater industrial wastewater insensitive munitions internal combustion engine intraparticle diffusion ion chemical reaction ion exchange isoelectric state Langmuir Langmuir isotherm magnetic separation mechanism mercury (II) removal methylene blue methylene blue adsorption capacity N doped carbon dots nanomaterials nanosorbent non-thermal plasma (NTP) phosphorus removal phytoextraction phytoremediation pineapple leaves pollutants pseudo-second-order pyrolysis rare earth metals regeneration removal rhodamine B rose bengal (RB) dye sequential dissolution fractionation sequential extraction sewage sludge silica sludge liquor soil remediation tangerine peels activated carbon Temkin toluene toxic metals toxic pollutants up-flow mode vetiver grass volcanic rocks wastewater pollutants wastewater treatment water remedy water stability of monolith zeolite zirconium phosphate α-NiMoO4 |
| 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 online resource (84 p.) |
| Soggetto topico |
Physics
Research & information: general |
| Soggetto non controllato |
automation
bit-patterned media combined spin-transfer torque (STT) and spin-orbit torque (SOT) switching current perpendicular-to-the-plane giant magnetoresistance damping like torque exchange-coupled-composite media extreme conditions field like torque Heusler alloys hysteresis loop machine learning magnetic contacts magnetic field-free switching magnetic read heads magnetic recording magnetic tunnel junction microwave-assisted magnetic recording n/a practical tests reaction distance reinforcement learning reliability spin-orbit torque MRAM the calculation in memory torque two-pulse switching scheme |
| 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 online resource (224 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
band gap
benzene phase I carbon dioxide carbonates computational methods dehydration reaction DFT and Force Field methods electrical conductivity electrical resistivity energy calculations epsomite extreme conditions Fe frustrated magnets fullerenes heat flow high pressure high-pressure high-temperature experiments high-pressure measurements high-pressure phase transitions homogeneous melting infrared laser intermolecular interactions Landau theory laser-heated diamond anvil cell Laue diffraction mechanisms of phase transitions melting curve melting transition metastable phase molecular crystals molecular dynamics simulation multi-phase materials n/a nonlinear elasticity theory optical absorption Ostwald's step rule perovskites phase diagram phase transition phase transitions polymerization pressure-induced quantum molecular dynamics quantum phase transitions quantum spin liquids Raman Raman spectra reactivity rhenium sesquioxides synchrotron radiation thermal and chemical convection thermal conductivity tungsten vanadate Z methodology zircon |
| 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 online resource (254 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
Al-Si alloy
atomic displacement bulk modulus commercial purity aluminum compression creep testing Debye temperature density-functional theory Earth's core electrical resistivity equation of state eutectic spacing extreme conditions Ganymede grain refinement high pressure high temperature high-pressure high-temperature infrared spectroscopy iodate iridium iron alloys iron sulfides kagome compound laser heating laser-heated diamond anvil cell local atomic structure low temperature magnesium alloy ME21 mechanical properties melting melting curve melting curves miniature specimen multi-phase materials n/a Nb3Sn PbTe phase relation phase transitions quantum molecular dynamics radial-distribution function size effects solid-solid phase transition boundary substitutional disorder superheat synchrotron radiation thermal convection thermal expansion thermodynamics transition metals vanadate X-ray diffraction XAFS zirconium |
| 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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