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Chemical Bonding in Crystals and Their Properties
| Chemical Bonding in Crystals and Their Properties |
| Autore | Vologzhanina Anna V |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (144 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
base-base interactions
boron cages cambridge structural database chalcogen bond chiral thiophosphorylated thioureas chirality control classification of base arrangement crystal structures dihydrogen bonds F...F interactions halogen bond hirshfeld surface Hirshfeld surface analyzes in situ crystallization intermolecular interactions knowledge-based analysis lattice energies lattice energy n/a NCI nickel(II) complexes organofluorine compounds packing motifs polymorph stability polymorphism QTAIM quantum chemical calculations Raman spectroscopy RNA crystallographic structures RNA structural motifs structure-property relations supramolecular chemistry thermal analysis thiazolo[2,3-b][1,3]thiazinium salts triiodide anion X-ray crystallography X-ray single crystal diffraction |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910674048503321 |
Vologzhanina Anna V
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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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Feature Papers in Compounds
| Feature Papers in Compounds |
| Autore | Mejuto Juan C |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (234 p.) |
| Soggetto topico |
Technology: general issues
Chemical engineering |
| Soggetto non controllato |
atropisomerism
4,4'-bipyridine pyridine N-oxidation halogenation halogen bond cyanation Finkelstein reaction Suzuki coupling Orchis scent gas chromatography mass spectrometry solid-phase microextraction quantum chemistry computational chemistry molecular dynamics modeling open-source software proprietary software Himantoglossum solid phase microextraction iodination alkanes alkenes alkynes alkyl carbonyls elemental iodine iodides Zutano variety avocado oil Soxhlet extraction ultrasound-assisted extraction volatiles ripening over-ripe HS-SPME-GC-MS Basilicata Barlia robertiana Himantoglossum robertianum mantel test Orchidaceae pollination syndrome Italy volatile compounds solvolysis aryldiazonium ions perchlorate anions silicon carbide (SiC) 3C-SiC powder 4H-SiC crystal impurities photoluminescence pnictogen bonding nitrogen as pnictogen bond donor geometries crystal structure analysis ICSD and CSD database analyses MESP characterizations sum of the van der Waals radii concept Dactylorhiza volatile organic compounds thiosemicarbazone metal complexes DNA interactions biological activity thiazolidinedione microwave synthesis compound library rosiglitazone Knoevangel condensation biodiesel production crude glycerin carbon materials |
| ISBN | 3-0365-5988-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910639987403321 |
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Mejuto Juan C
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| 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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Supramolecular Chemistry in the 3rd Millennium
| Supramolecular Chemistry in the 3rd Millennium |
| Autore | Housecroft Catherine |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (263 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
4-pyrrolidinopyridinium
anion binding antisymmetric exchange bilayer membranes binary solid calixarenes capsules carboxylates catalysis catalysis regulation chirality chloride receptor chlorido ligand displacement chloropyrazin-2-amine chloropyrazine co-crystal cocrystal synthesis cocrystallization mechanism complementarity conformational polymorphism coordination cage coordination chemistry coordination clusters coordination-driven self-assembly copper chloride complexes copper complexes copper halide copper(II) complexes crown-ethers crystal engineering crystal structure cucurbit[7]uril cyclotricatechylene desorption kinetics DFT calculations dipolar interaction EPR spectroscopy H-bonding pattern halogen bond helicate Hirshfeld surfaces host-guest chemistry host-guest interaction hydrogen bond hydrogen bonding hydrogen bonds hydroquinone intermolecular contacts ion-channels isotropic exchange ligands luminescence magnetic susceptibility manganese metal ions metal-organic cage metal-organic frameworks metalla-assemblies metallosupramolecular molecular electrostatic potential molecular magnetism molecular recognition molecular tecton multicomponent cocrystal N,N',N",N‴-Tetraisopropylpyrophosphoramide n/a network structure orthogonality porous material pyrazine pyrazolato ligands pyrophosphoramide redox switch Schiff base ligands self-assembly solvatochromism structure supramolecular assembly supramolecular chemistry supramolecular motifs supramolecular structure switchable system synthons tetrazole ligands uranium(VI) urea hydrolysis vapour sorption X-ray crystallography X-ray diffraction σ-hole |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557360903321 |
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Housecroft Catherine
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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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