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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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Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter
| Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter |
| Autore | Fromm Katharina M |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (222 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
2-bromo-3-methylbutanoic acid
2-bromo-3-methylbutyric acid 2-bromoisovaleric acid absolute configuration Alder-Ene anions packing ansamysin antibacterial arylsulfonates bath salts Cambridge Structural Database chemisorption chirality cocaine complex ion conformation coordination chemistry coordination complexes crystal structure crystallography diphosphine dioxide disiloxanes Erdmann's anion Flack parameter Flack test flavoring agent halogenated carboxylic acid Hirshfeld surface analysis Howard Flack hydroborate hydrogen bonding hydrogen-bond coordination hydrogen-bond energies hydrogen-bond propensity hydrogen-bonding in situ cryo-crystallization intermolecular interactions iron(II) kryptoracemic crystallization lactone lanthanide trichloride complexes ligand field methamphetamine methylone MOFs molecular electrostatic potential molecular models n/a nephelauxetic nitrosyl pyrazine-benzimidazole pyrazoles pyridinium salt formation racemate racemic mimics Rifamycin O semi-synthesis silicon single-phase solvent system solid-gas reaction spin crossover stereoselectivity street drugs structure analysis sulfonate synthesis sulfonyl chlorides supramolecular synthon twinning vibrational circular dichroism X-ray crystallography X-ray structures zwitterionic γ-(+)-decalactone π-π interactions |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Memorial Issue Dedicated to Dr. Howard D. Flack |
| Record Nr. | UNINA-9910557365103321 |
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Fromm Katharina M
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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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Pharmaceutical Crystals
| Pharmaceutical Crystals |
| Autore | Uekusa Hidehiro |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (148 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
1H-indole
3 4-b]indol-4-one 5-dihydro-4H-pyrimido[5 adefovir dipivoxil Benzodioxole carbamazepine cocrystal cocrystal formation crystal habit crystal structure Crystal structure crystal structure analysis dehydration DFT DFT study dicarboxylic acid dissolution famotidine famoxadone HBV hepatitis B Hirshfeld surface analysis HOMO-LUMO hydrate hydrogen bond hydrogen bonding hydrogen-bond-acceptance ability hygroscopicity Imidazole liquid assisted grinding malonic acid melting diagram molecular docking study n/a Nitrofurantoin-4-dimethylaminopyridine (NF-DMAP) salt on-line monitoring ondansetron pharmaceutical cocrystal pharmaceutical crystals photostability physicochemical properties polymorphs pyrimidin-4(3H)-one Raman spectroscopy reactivity descriptors saccharin salt optimization Semicarbazone solubility solution crystallization solvent-mediated polymorphic transformation structure determination from powder diffraction data succinic acid ticagrelor |
| ISBN | 3-03928-713-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910404091503321 |
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Uekusa Hidehiro
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| MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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σ- and π-Hole Interactions
| σ- and π-Hole Interactions |
| Autore | Frontera Antonio |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (212 p.) |
| Soggetto topico |
Biology, life sciences
Research & information: general |
| Soggetto non controllato |
1,3,5-Triazacyclohexane
2,6-diaminopurine C-H···π interaction C-I···F halogen bonds cadmium chalcogen bonding characterizations co-crystal coinage metals crystal engineering crystal growth crystallography DFT study direct measure for π-hole interaction strength EDTA H-bonding halogen bonding Hirshfeld surface analysis hybridization of a nitrogen atom in sulfonamides hydrogen bonding hydrogen bonding sigma-hole interactions Lewis acids Lewis bases local vibrational mode theory main group elements molecular cocrystal nickel non-covalent interactions noncovalent interaction noncovalent interactions PBE0-D3(BJ) calculations phosphines pnictogen bonding pyrazolates regium bonds sandwiched-layer structure scanning tunneling microscopy Schiff bases secondary bonding selenium self-assembly silver(I) spodium bonds structural chemistry substituent effects supramolecular supramolecular chemistry tetrel bonding theoretical studies triazinane vibrational spectroscopy π-hole π-hole interaction π-π stacking π···π stacking interactions σ-hole σ-hole interactions σ/π-hole interactions |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557727903321 |
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Frontera Antonio
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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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