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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 |
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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Molecular Modeling in Drug Design
| Molecular Modeling in Drug Design |
| Autore | Wade Rebecca |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 online resource (220 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
adenosine
adenosine receptor adenosine receptors adhesion aggregation all-atom molecular dynamics simulation allosterism Alzheimer's disease amyloid fibrils AR ligands artificial intelligence AutoGrid binding affinity biophenols boron cluster cosolvent molecular dynamics de novo design deep learning density-based clustering docking drug design drug discovery dynamic light scattering enzymatic assays EphA2-ephrin A1 extracellular loops FimH fragment screening grid maps human ecto-5?-nucleotidase hyperlipidemia in silico screening interaction energy ligand binding ligand-protofiber interactions mechanical stability metadynamics method development molecular docking molecular dynamics molecular dynamics simulation molecular modeling molecular recognition natural compounds neural networks PPI inhibition probe energies promiscuous mechanism property prediction protein protein interactions protein-peptide interactions proteins quantitative structure-activity relationship (QSAR) quantitative structure-property prediction (QSPR) rational drug design resultant dipole moment scoring function solvent effect squalene synthase (SQS) steered molecular dynamics structure-based drug design target-focused pharmacophore modeling Traditional Chinese Medicine turbidimetry virtual screening |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346839403321 |
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Wade Rebecca
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Recent Advances in Water and Wastewater Treatment with Emphasis in Membrane Treatment Operations
| Recent Advances in Water and Wastewater Treatment with Emphasis in Membrane Treatment Operations |
| Autore | Zouboulis Anastasios |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 online resource (230 p.) |
| Soggetto topico | History of engineering and technology |
| Soggetto non controllato |
adsorption
adsorption kinetics antimony antimony treatment arsenic arsenic adsorption backwash duration bioethanol recovery biofilm membrane bioreactor cake resistance ceramic membranes chromate co-treatment coagulation crossflow membrane filtration desalination dewatering drinking water Fe-based coagulants fouling granular ferric hydroxide HA-BSA mixtures hexavalent chromium hollow fiber membranes hollow fibre interaction energy mass transfer Membrane Bioreactor membrane filtration membrane fouling membrane resistance membranes microfiltration modeling multiphase multivariate statistics municipal wastewater sludge natural organic matter natural organic matter (NOM) operation optical sensors ozonation particle size distribution peroxone polluted waters polydimethylsiloxane process control produced water treatment Sb(III) Sb(V) second cheese whey separation small sized powdered ferric hydroxide sodium alginate solution conditions temperature TMP trickling biofilter ultrafiltration vacuum membrane distillation wastewater treatment water crisis water matrix water treatment winery effluents xDLVO theory |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910669804603321 |
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Zouboulis Anastasios
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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