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Computational Methods for Polymers
| Computational Methods for Polymers |
| Autore | Soroush Masoud |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (320 p.) |
| Soggetto topico | History of engineering and technology |
| Soggetto non controllato |
additive manufacturing
batch process modeling and control complexity of structure continuous stirred-tank reactor copolymerization data-driven parameter estimation degree of branching dendrimers density functional theory design of experiments DFT droplet impact Eccentric connectivity index electronic effects failure modes free-radical polymerization gas phase global sensitivity analysis high-temperature polymerization hyperbranched inhibitors injection molding insertion kinetics irregularity indices irregularity measure kinetics measurements with delay method of moments methyl acrylate model predictive control modeling modularity molecular graph molecular topological indices Monte Carlo simulation multi-rate observer n-butyl acrylate n/a nanostar dendrimer nonlinear sampled-data system NS1[p] NS2[p] NS3[p] olefin olefin capture olefin copolymerization operability parameter fitting phenolic PLP-SEC PolyEThyleneAmidoAmine (PETAA) dendrimer polymer processing polymerization polyolefin synthesis post-metallocene process intensification process modeling and simulation radius of gyration RAFT polymerization rapid tooling reactivity ratio estimation reactivity ratios retrospective cost model refinement algorithm rotational molding salan catalysts span length stable nitroxide radicals styrene subspace identification terpolymerization thermal polymerization viscoelasticity volume of fluid method |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557486203321 |
Soroush Masoud
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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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Formation of Advanced Nanomaterials by Gas-Phase Aggregation
| Formation of Advanced Nanomaterials by Gas-Phase Aggregation |
| Autore | Popok Vladimir N |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (112 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
atomic force microscopy
biosensors chemical sensors cluster ion beam cluster sources CoCr nanoparticles core@shell nanoparticles electroactive actuators gas phase gas sensors gas-phase synthesis of nanoparticles laser desorption n/a nano-PALDI MS nanomaterials prepared by gas aggregation nanoparticles nanostructures polymer/metal nanocomposites potassium titanyl phosphate power spectral density function SALDI MS silver nanoparticles soft robotics sputtering strain sensors |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557348903321 |
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Popok Vladimir N
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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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Gulliver in the Country of Lilliput : An Interplay of Noncovalent Interactions
| Gulliver in the Country of Lilliput : An Interplay of Noncovalent Interactions |
| Autore | Shenderovich Ilya |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (216 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
31P NMR spectroscopy
activation energy adenine aromaticity azo dyes Bader charge analysis benchmark carboxyl group computation of low-frequency Raman spectra condensed matter confinement conventional and non-conventional H-bonds CPMD crystal engineering density functional theory deuteration DFT dispersion electron charge shifts empirical Grimme corrections external electric field first-principle calculation gas phase halogen bond halogen bonding heavy drugs histamine receptor hydrogen bond hydrogen bonding hydrogen bonds IINS interfaces and surfaces IR IR spectroscopy ketone-alcohol complexes lattice energy of organic salts Lewis acid-Lewis base interactions molecular dynamics molecular recognition n/a NMR non-covalent interactions phosphine oxide pinacolone pnicogen bond polarizable continuum model proton dynamics proton transfer QTAIM Raman reaction field Reaction mechanism receptor activation solid-state NMR solvent effect spectral correlations substituent effect tetrel bond transition state structure triel bond vibrational spectroscopy |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Gulliver in the Country of Lilliput |
| Record Nr. | UNINA-9910557117203321 |
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Shenderovich Ilya
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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 online resource (246 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
AIM
amino-alcohols beryllium bonds bond energy estimation calculated infrared spectra CCSD charge-transfer interactions CPMD crystalline phase deuterium isotope effects on chemical shifts DFT DSC excited-state intramolecular proton transfer fragmentation methods FT-IR gas phase high-accuracy extrapolation methods Hirshfeld surface analysis hydrogen bond hydrogen bond (HB) hydrogen bond energies IINS inelastic incoherent neutron scattering interacting quantum atoms interaction energy intramolecular hydrogen bond (IHB) intramolecular hydrogen bonding intramolecular hydrogen bonds intramolecular interaction isomerization isotope ratios isotopic effect local vibrational modes matrix isolation molecular dynamics molecular tailoring approach (MTA) MP2 N-salicylidene aniline derivative n/a nitro group non-covalent interactions noncovalent interactions NQR nuclear quantum effects phase transition photobiology photochemistry photophysical properties polymorphism QTAIM quantum chemistry Raman resonance-assisted hydrogen bond SAPT Schiff base Schiff bases solvatochromism spin-spin coupling constants structures and binding energies ultrafast processes X-ray α-substitution |
| 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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