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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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Compact Stars in the QCD Phase Diagram
| Compact Stars in the QCD Phase Diagram |
| Autore | Blaschke David |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (273 p.) |
| Soggetto non controllato |
Gamma-ray bursts
collective flow vector interaction quarks meson production ? meson condensation neutrino magnetic DCDW pulsars light cluster emission monte carlo simulations neutron stars chiral symmetry GW170817 stellar structure supernova explosions maximum mass mass-radius relation nuclear equation of state in-medium effects Beth-Uhlenbeck equation of state speed of sound gravitational waves relativistic heavy-ion collisions crystalline structure neutron star finite density transport theory stellar evolution neutron star matter hadronic matter general relativity critical point ? resonances QCD matter modified excluded-volume mechanism cold-dense QCD quark stars quark-hole pairing finite size mass-twin stars pasta phases hybrid stars cluster virial expansion finite temperature quark-hadron phase transition hadron–quark continuity stellar magnetic field strangeness quark-gluon plasma pulsars: PSR J0737 ? 3039A pulsars: general combustion Mott dissociation hybrid compact stars quark deconfinement quark matter Gravitational waves pulsars: PSR J1757 ? 1854 neutrino emissivities directed flow star oscillations quark-hadron matter QCD phase diagram phase transition equation of state nuclear matter nuclear symmetry energy hydrodynamics deconfinement stars: neutron axion QED Quantum Chromodynamics dense matter heavy-ion collisions |
| ISBN | 3-03921-959-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910372782503321 |
Blaschke David
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| MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Quantum Physics and Chemistry of Nanomaterials
| Computational Quantum Physics and Chemistry of Nanomaterials |
| Autore | Šob Mojmír |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (198 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
BTF
TATB CL-20 cocrystal energetic materials shock sensitivity large-scale ab initio molecular dynamics simulations AlN low-dimensional material atomic cluster electronic structure HSE06 hybrid functional CsPbBr3 CsPb2Br5 solvent polarity CTAB phase transition high-entropy alloys generalized stacking fault energy first-principles interfacial energy surface energy nanoparticles gold ab initio molecular mechanics fcc Ni tilt Σ5(210) grain boundary vacancy Si and Al impurity grain boundary energy segregation energy defects binding energies magnetism ferroelectricity SnTe nanoribbon nanoflakes critical size density-functional theory thermodynamics silver decahedron excess energy ab initio calculations dye-sensitized solar cells azobenzene density functional theory topological insulators magnetic doping defects environment and health first-principles physics DFT hazardous gas |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557583503321 |
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Šob Mojmír
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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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Differential Models, Numerical Simulations and Applications
| Differential Models, Numerical Simulations and Applications |
| Autore | Bretti Gabriella |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (240 p.) |
| Soggetto topico |
Research & information: general
Mathematics & science |
| Soggetto non controllato |
conservation laws
feedback stabilization input-to-state stability numerical approximations nonlocal velocity macroscopic models traffic data gap analysis multi-phase models Volterra integral equations asymptotic-preserving numerical stability Cellular Potts model cell migration nucleus deformation microchannel device regularization theory multivariate stochastic processes cross-power spectrum magnetoencephalography MEG functional connectivity spectral complexity soil organic carbon RothC non-standard integrators Exponential Rosenbrock–Euler langevin equation Mean Field Games system kinetic Fokker–Planck equation hypoelliptic operators Caputo fractional derivative Allee effect existence and stability Hopf bifurcation implicit schemes optimal design soft tissue mechanics mutual information biaxial experiment inverse problems information theory LWR model follow-the-leader model phase transition creeping seepage fundamental diagram lane discipline networks aggregation equation relaxation limit scalar conservation law finite volume scheme differential equations mathematical biology microfluidic chip applied mathematics numerical methods computational mathematics differential and integro-differential models |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557897703321 |
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Bretti Gabriella
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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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Engineering Properties of Superconducting Materials
| Engineering Properties of Superconducting Materials |
| Autore | Coombs Tim |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (136 p.) |
| Soggetto topico | Information technology industries |
| Soggetto non controllato |
hybrid high voltage direct current transmission system
resistive-type superconducting fault current limiter scheme design short-circuit fault Yttrium barium copper oxide materials transient simulation high pressure diamond anvil cell Raman spectroscopy electrical conductivity phase transition pressure-induced metallization iron-based superconductors critical currents flux pinning microstructure superconducting tape quench R-SFCL AC and DC overcurrent experiment finite element method (FEM) numerical modeling superconducting coil alternating current (AC) losses superconducting material law inductive fault current limiter magnetic flux shielding multiphysics simulation transient state field-circuit coupling method high-temperature superconducting bulk modeling magnetic levitation electromagnetic-thermo-force coupling high speed HTS bulk superconductors coated conductors mathematical modelling H-formulation |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557442103321 |
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Coombs Tim
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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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Intermittency in Transitional Shear Flows
| Intermittency in Transitional Shear Flows |
| Autore | Duguet Yohann |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (180 p.) |
| Soggetto topico |
Research & information: general
Technology: general issues |
| Soggetto non controllato |
subcritical phenomenon
transition to turbulence direct numerical simulation spatio-temporal intermittency channel flow hibernating turbulence hot-film anemometry turbulence turbulent bands obliqueness advection speed wave generation inflectional instability transition to/from turbulence wall-bounded shear flow plane Poiseuille flow spatiotemporal intermittency directed percolation critical phenomena subcritical transition turbulence fraction moment unsteady shear flow turbulence intermittency helical instability puff dynamics phase transition Couette flow lifetimes |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557427503321 |
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Duguet Yohann
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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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Intramolecular Hydrogen Bonding 2021
| Intramolecular Hydrogen Bonding 2021 |
| Autore | Jabłoński Mirosław |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (246 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
intramolecular interaction
interaction energy hydrogen bond intramolecular hydrogen bonds deuterium isotope effects on chemical shifts isotope ratios hydrogen bond energies intramolecular hydrogen bonding high-accuracy extrapolation methods QTAIM non-covalent interactions local vibrational modes hydrogen bond (HB) intramolecular hydrogen bond (IHB) molecular tailoring approach (MTA) fragmentation methods bond energy estimation noncovalent interactions structures and binding energies charge-transfer interactions spin-spin coupling constants polymorphism isomerization phase transition nitro group matrix isolation IINS FT-IR Raman X-ray NQR DSC DFT Schiff base N-salicylidene aniline derivative photophysical properties solvatochromism Hirshfeld surface analysis amino-alcohols α-substitution beryllium bonds calculated infrared spectra interacting quantum atoms resonance-assisted hydrogen bond Schiff bases inelastic incoherent neutron scattering isotopic effect excited-state intramolecular proton transfer photochemistry photobiology quantum chemistry molecular dynamics ultrafast processes gas phase crystalline phase MP2 CCSD AIM SAPT nuclear quantum effects CPMD |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557663903321 |
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Jabłoński Mirosław
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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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Modelling the Deformation, Recrystallization and Microstructure-Related Properties in Metals
| Modelling the Deformation, Recrystallization and Microstructure-Related Properties in Metals |
| Autore | Sidor Jurij J |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (144 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
magnesium alloy
deformation mechanisms plastic deformation polycrystal plasticity modeling FeMnSiCrNi alloy shape memory alloy cellular automaton dynamic recrystallization boron steel tailored hot stamping phase transition springback 300M steel hot processing map thermal compression microstructure evolution in situ experiments cold rolling deformation flow texture simulation high-strength steel hot stamping martensitic transformation finite element analysis constitutive equation GH4169 superalloy microstructure evolution simulation multidirectional forging aluminum cross-rolling texture earing Cu-Al-Ni monocrystalline alloy reversible martensitic transformations thermo-cyclic treatment under load physical characterization and structural characterization |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557371003321 |
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Sidor Jurij J
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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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Molecular Research in Rice: Agronomically Important Traits 2.0
| Molecular Research in Rice: Agronomically Important Traits 2.0 |
| Autore | Hori Kiyosumi |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (182 p.) |
| Soggetto topico |
Research & information: general
Biology, life sciences Technology, engineering, agriculture |
| Soggetto non controllato |
grain number per panicle
grain yield phase transition rachis branch rice panicle spikelet specialisation rice flowering time ambient temperature fluctuation chromosome segment substitution line (CSSL) quantitative trait locus (QTL) drought tolerance cold tolerance Oryza sativa OsCRP1 chloroplast ribonucleoproteins NAD(P)H dehydrogenase (NDH) complex nitrogen use efficiency transcriptional regulation nitrate reductase nitrate transporter glutamate synthase potassium chlorate QTL food shortage yield grain size OsBRKq1 genome editing homozygous proteomics C4 rice proto-Kranz photosynthetic efficiency crop improvement spike-stalk injection transcription factor OsWRKY55 drought response plant growth OsAP2-39 inflorescence architecture BLH homedomain protein branching pattern verticillate primary branch transcriptome analysis hormone pathways japonica DT3 submergence tolerance marker-assisted backcross foreground selection background selection three-dimensional imaging shoot apical meristem root tip |
| ISBN | 3-0365-4944-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Molecular Research in Rice |
| Record Nr. | UNINA-9910639995003321 |
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Hori Kiyosumi
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Nanomineralogy
| Nanomineralogy |
| Autore | Ju Yiwen |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (350 p.) |
| Soggetto topico |
Research & information: general
Earth sciences, geography, environment, planning |
| Soggetto non controllato |
preparation
hydroxysodalite bentonite alkali-activation water-bath total porosity shale gas reservoir Longmaxi Formation Southeast Chongqing pyrite thermal treatment pyrrhotite Hg(II) removal mechanism Changling Fault Depression Shahezi Formation fractal dimensions pore structure shale lithofacies lacustrine shales pore networks pore connectivity spontaneous fluid imbibition Shahezi shales Sm-Nd dating Shuiyindong Carlin-type gold deposit Southwestern China southern North China marine shale nanopore structure heterogeneity fractal dimension calcium carbonate mesopore amoxicillin adsorption kinetics thermodynamics nanocubic pyrite hydrothermal synthesis greigite thiourea iron nanoparticle Fe nanomaterial colloid L-edge XANES speciation hierarchical nanocomposite sepiolite clay mineral heavy metals water treatment nanograins principal slip zone crystallographic preferred orientation amorphization mirror-slip surface faults earthquakes localization Nantuo Formation syn-glacial dolostone rare earth elements ferruginous conditions South China nanostructure OM-clay aggregate silica nanograin tectonic and thermal evolution Longmaxi Formation shale N2 adsorption helium ion microscope minerals trace elements major elements fault zone tectonically deformed coal differentiation mechanism metallic nanoparticles migration mechanism prospecting Shenjiayao gold deposit syngenetic framboids diagenetic framboids paleoredox conditions shale gas content middle Yangtze area nanocrystalline rutile phase transition metallization high pressure diamond anvil cell |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557701403321 |
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Ju Yiwen
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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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