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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 online resource (216 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
31P NMR spectroscopy
activation energy adenine aromaticity azo dyes Bader charge analysis benchmark carboxyl group computation of low-frequency Raman spectra condensed matter confinement conventional and non-conventional H-bonds CPMD crystal engineering density functional theory deuteration DFT dispersion electron charge shifts empirical Grimme corrections external electric field first-principle calculation gas phase halogen bond halogen bonding heavy drugs histamine receptor hydrogen bond hydrogen bonding hydrogen bonds IINS interfaces and surfaces IR IR spectroscopy ketone-alcohol complexes lattice energy of organic salts Lewis acid-Lewis base interactions molecular dynamics molecular recognition n/a NMR non-covalent interactions phosphine oxide pinacolone pnicogen bond polarizable continuum model proton dynamics proton transfer QTAIM Raman reaction field Reaction mechanism receptor activation solid-state NMR solvent effect spectral correlations substituent effect tetrel bond transition state structure triel bond vibrational spectroscopy |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Gulliver in the Country of Lilliput |
| Record Nr. | UNINA-9910557117203321 |
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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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
|
||
| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||