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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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Lignans
| Lignans |
| Autore | Barker David |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (384 p.) |
| Soggetto non controllato |
taste-active compound
heilaohu 9-norlignans antioxidant activity drug-like human health chemometrics lignan bitterness red-flowered Chinese magnolia vine antioxidant ruminant secoisolariciresinol diglucoside quantification intermolecular interactions cattle anti-inflammatory activity acyl-Claisen LOX seed food groups microtubules anti-proliferative acetylcholinesterase inhibitors flax arylnaphthalene lignan epiboly aryldihydronaphthalene lignan multiple bioactive components enterolignan total synthesis genetic synthesis cultivated cell cycle chronic diseases national databases oxidation chemical components molecular dynamics COX lignans hydroxycinnamic acid chemical structures Chinese magnolia vine stereoselective synthesis sPLA2 Bursera fagaroides in silico studies antibacterial activity semisynthesis dibenzyl butyrolactones flavonoid glycoside lignan glycoside chemical characterization hydroxymatairesinol podophyllotoxin Lespedeza cuneata Bursera oak ageing Schisandrae Chinensis Fructus F-actin cultivar UHPLC-MS/MS bioactivity podophyllotoxin-type lignans harmonized databases graph theory antioxidants health promotion simultaneous quantitation natural products dietary intake cell migration Lignan chemical space diet Lauraceae pharmacokinetic cytotoxicity tujia ethnomedicine flavonolignans flavonol adipocyte and osteoblast differentiation Burseraceae environment dietary lignans phytochemical analysis Schisandra chinensis animal health neolignans Schisandra rubriflora cancer norlignans wild |
| ISBN | 3-03897-909-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346692503321 |
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Barker David
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| 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 electronic resource (222 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
pyrazine-benzimidazole
spin crossover iron(II) ligand field nephelauxetic arylsulfonates pyridinium salt formation single-phase solvent system sulfonate synthesis sulfonyl chlorides X-ray crystallography crystallography Howard Flack 2-bromo-3-methylbutyric acid 2-bromo-3-methylbutanoic acid 2-bromoisovaleric acid halogenated carboxylic acid hydrogen bonding chirality absolute configuration racemate crystal structure Flack parameter coordination chemistry MOFs twinning structure analysis hydroborate anions packing lanthanide trichloride complexes diphosphine dioxide coordination complexes X-ray structures stereoselectivity hydrogen-bonding complex ion disiloxanes intermolecular interactions Hirshfeld surface analysis molecular models silicon γ-(+)-decalactone in situ cryo-crystallization flavoring agent lactone vibrational circular dichroism solid-gas reaction chemisorption nitrosyl Flack test Erdmann's anion bath salts street drugs cocaine methamphetamine methylone π-π interactions racemic mimics kryptoracemic crystallization hydrogen-bond propensity hydrogen-bond coordination supramolecular synthon hydrogen-bond energies Cambridge Structural Database molecular electrostatic potential pyrazoles Rifamycin O ansamysin antibacterial semi-synthesis Alder-Ene conformation zwitterionic |
| 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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Pressure-Induced Phase Transformations
| Pressure-Induced Phase Transformations |
| Autore | Errandonea Daniel |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (224 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
vanadate
zircon high pressure band gap phase transition optical absorption benzene phase I homogeneous melting Ostwald’s step rule molecular dynamics simulation metastable phase melting transition Fe electrical resistivity thermal conductivity heat flow thermal and chemical convection sesquioxides phase transitions Laue diffraction mechanisms of phase transitions reactivity tungsten rhenium carbon dioxide carbonates high-pressure high-temperature experiments quantum spin liquids frustrated magnets quantum phase transitions high-pressure measurements phase diagram quantum molecular dynamics melting curve Z methodology multi-phase materials epsomite dehydration reaction Raman spectra electrical conductivity high-pressure phase transitions molecular crystals computational methods DFT and Force Field methods energy calculations intermolecular interactions Landau theory nonlinear elasticity theory perovskites fullerenes polymerization pressure-induced Raman infrared laser laser-heated diamond anvil cell synchrotron radiation extreme conditions |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557286903321 |
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Errandonea Daniel
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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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Synthesis and Applications of New Spin Crossover Compounds
| Synthesis and Applications of New Spin Crossover Compounds |
| Autore | Kitazawa Takafumi |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (254 p.) |
| Soggetto non controllato |
hexadentate ligand
X-ray diffraction structural disorder lattice energy 2-bis(4-pyridyl)ethane thermal hysteresis optical conductivity spectrum spin-state crossover solvate single crystal spin-crossover transition spin-crossover cobalt oxide amorphous metal dithiolene complexes qsal ligand impurity effect 3-triazole intermolecular interactions spin crossover hydrogen bonding 1 2 optical microscopy supramolecular coordination polymer paramagnetic ligand magnetic susceptibility high spin [Fe(III)(3-OMesal2-trien)]+ aminoxyl cobalt(II) ion mosaicity Fe(III) coordination complexes nitroxides C-H···? interactions Fe(II) dithiooxalato ligand dinuclear triple helicate coordination polymers magnetization spiral structure magnetostructural correlations charge-transfer phase transition structure phase transition magnetic properties spin polaron substitution of 3d transition metal ion iron(II) complexes X-ray absorption spectroscopy coordination complexes crystal engineering fatigability soft X-ray induced excited spin state trapping spin transition dipyridyl-N-alkylamine ligands coordination polymer iron (II) iron mixed-valence complex chiral propeller structure spin cross-over (SCO) EPR spectroscopy Cu(II) complexes solvent effects ferromagnetism SQUID LIESST effect low spin (LS) 57Fe Mössbauer spectroscopy dielectric response iron(II) hetero metal complex atropisomerism switch Schiff base counter-anion DFT calculation Fe(III) complex Fe(II) complex high spin (HS) reaction diffusion thermochromism supramolecular isomerism phase transition magnetic transition mononuclear [Au(dmit)2]? UV-Vis spectroscopy phase transitions ?-? interactions [Au(dddt)2]? crystal structure linear pentadentate ligand ion-pair crystals |
| ISBN | 3-03921-362-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367753803321 |
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Kitazawa Takafumi
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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