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Carborane: Dedicated to the Work of Professor Alan Welch
| Carborane: Dedicated to the Work of Professor Alan Welch |
| Autore | Stogniy Marina Yu |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (114 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
carboranes
DFT reaction pathways boron chemistry o-carborane sulfa-Michael addition reaction cysteine boron neutron capture therapy o-carborane decapitation labeled compound 1,1'-bis(o-carborane) deboronation metalation bis(nickelation) diastereoisomers stereospecific boron clusters liquid crystals fluorescence cholesterol nido-carborane nitrilium derivatives nickel(II) half-sandwich complexes synthesis structure Lewis acid carborane carbonium ylide tetrel bond quantum chemistry electron density ELF iodo derivatives dihalogen bond X-ray structure quantum chemical calculations iron bis(1,2-dicarbollide) chromium bis(1,2-dicarbollide) tetramethyltetrathiafulvalene tetramethyltetraselenafulvalene radical-cation salts crystal and molecular structure electric conductivity |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Carborane |
| Record Nr. | UNINA-9910566473603321 |
Stogniy Marina Yu
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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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