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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 |
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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Synthesis and Applications of New Spin Crossover Compounds / Takafumi Kitazawa
| Synthesis and Applications of New Spin Crossover Compounds / Takafumi Kitazawa |
| 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 |
9783039213627
3039213628 |
| 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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The Application of Quantum Mechanics in Reactivity of Molecules
| The Application of Quantum Mechanics in Reactivity of Molecules |
| Autore | Sousa Sérgio F |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (182 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
[NiFeSe] hydrogenase
antioxidants chemical kinetics chemical reactivity theory concerted rotation of the hydroxyl groups condensed phase conformational mobility coordination complexes depressive disorder DFT DFT calculations dispersion donor-acceptor systems electronic structure first-principles calculations fluoxetine Fourier transform infrared (FTIR) frequencies free radical scavengers HSAB principle hydroxyl group information theory major master equation mechanical properties n/a nanostructures optical properties oxidative stress partial electronic flows phase-current relations porphyrins, density functional theory Pyrophosphate quantum mechanics quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations quantum technology quantum-chemical calculations Quercetin molecule reaction rate reactive oxygen species regional complementarity rule RRKM theory scanning tunneling microscopy self-assembly solid state subsystem phases surfaces transition state vibrational frequency analyses virial theorem |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557762903321 |
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Sousa Sérgio F
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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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