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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 electronic resource (144 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
organofluorine compounds
polymorphism QTAIM NCI quantum chemical calculations lattice energy intermolecular interactions F...F interactions boron cages dihydrogen bonds hirshfeld surface cambridge structural database crystal structures knowledge-based analysis structure-property relations supramolecular chemistry chalcogen bond halogen bond triiodide anion Raman spectroscopy thermal analysis thiazolo[2,3-b][1,3]thiazinium salts RNA structural motifs base-base interactions classification of base arrangement RNA crystallographic structures chiral thiophosphorylated thioureas chirality control nickel(II) complexes X-ray single crystal diffraction X-ray crystallography in situ crystallization Hirshfeld surface analyzes lattice energies packing motifs polymorph stability |
| 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 electronic resource (216 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
solvent effect
hydrogen bond NMR condensed matter polarizable continuum model reaction field external electric field proton transfer halogen bond phosphine oxide 31P NMR spectroscopy IR spectroscopy non-covalent interactions spectral correlations Reaction mechanism first-principle calculation Bader charge analysis activation energy transition state structure conventional and non-conventional H-bonds empirical Grimme corrections lattice energy of organic salts computation of low-frequency Raman spectra confinement solid-state NMR molecular dynamics interfaces and surfaces substituent effect aromaticity adenine Lewis acid-Lewis base interactions tetrel bond pnicogen bond triel bond electron charge shifts proton dynamics carboxyl group CPMD DFT IINS IR Raman crystal engineering halogen bonding azo dyes QTAIM dispersion ketone-alcohol complexes density functional theory hydrogen bonds molecular recognition vibrational spectroscopy gas phase benchmark pinacolone deuteration heavy drugs histamine receptor hydrogen bonding receptor activation |
| 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 electronic resource (263 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
anion binding
chloride receptor switchable system hydroquinone redox switch metal-organic frameworks vapour sorption solvatochromism desorption kinetics ion-channels crown-ethers bilayer membranes self-assembly supramolecular chemistry host-guest chemistry coordination cage catalysis crystal structure copper chloride complexes H-bonding pattern tetrazole ligands X-ray diffraction Hirshfeld surfaces uranium(VI) carboxylates capsules structure luminescence multicomponent cocrystal cocrystallization mechanism cocrystal synthesis crystal engineering porous material molecular recognition halogen bond co-crystal molecular tecton binary solid network structure σ-hole molecular electrostatic potential calixarenes coordination clusters manganese molecular magnetism host-guest interaction cucurbit[7]uril 4-pyrrolidinopyridinium copper complexes chlorido ligand displacement catalysis regulation Schiff base ligands urea hydrolysis coordination chemistry hydrogen bonds metalla-assemblies coordination-driven self-assembly orthogonality ligands metal ions complementarity hydrogen bonding cyclotricatechylene metal-organic cage helicate metallosupramolecular chirality copper(II) complexes pyrazolato ligands supramolecular assembly X-ray crystallography magnetic susceptibility EPR spectroscopy isotropic exchange antisymmetric exchange dipolar interaction DFT calculations hydrogen bond pyrazine chloropyrazine chloropyrazin-2-amine copper halide supramolecular structure conformational polymorphism intermolecular contacts N,N',N",N‴-Tetraisopropylpyrophosphoramide pyrophosphoramide synthons supramolecular motifs |
| 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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