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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 |
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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Organic Conductors
| Organic Conductors |
| Autore | Naito Toshio |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (418 p.) |
| Soggetto topico |
Technology: general issues
Chemical engineering |
| Soggetto non controllato |
organic π-radical
molecular conductor phthalocyanine three-dimensional network three-dimensional electronic system organic conductors bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) bis(ethylenediseleno)tetrathiafulvalene (BEST) bis(ethylenedithio)tetraselenafulvalene (BETS) electrical resistivity magnetic susceptibility X-ray analysis charge-ordered state quantum chemical calculations Madelung energy magnetic property reversible transformation spin ladder nodal line semimetal single-component molecular conductor conductivity DOS tight-binding model interacting electrons in one dimension electronic and lattice instabilities renormalization group method X-ray diffraction single crystal electron density molecular orbital single-component molecular conductors extended-TTF dithiolate ligands gold dithiolate complexes (BETS)2Fe1−xGaxCl4 π-d interaction NMR charge glass heat capacity electric current electric voltage Boson peak chirality tetrathiafulvalene crystal structures band structure calculations hydrogen bonding charge-transfer salts (TMTTF)2X deuteration anions charge transport tunnel junction MOCVD quantum well co-doping solar cells (TMTSF)8(I3)5 (TMTSF)5(I3)2 (TMTSF)4(I3)4·THF organic conductor crystal structure high pressure DFT MP2 organic superconductors Beechgard salts Maxwell-Garnett approximation high-Tc pressure effect Dirac electron system resistivity magnetoresistance synchrotron X-ray diffraction band calculation correlated electron materials layered organic conductor unconventional superconductivity vortex dynamics d-wave pairing symmetry superconducting gap structure magnetic field flux-flow resistivity charge-ordered insulator electric double layer transistor organic field-effect transistor π-d system Mott insulator strongly correlated electron system multiferroic dielectric photoconductor organic semiconductors molecular orbitals pyroelectricity temperature modulation molecular ferroelectrics radiative temperature control thermal diffusion model lithium niobate first-principles calculation density-functional theory charge ordering hybrid functional electronic structure nickel-dithiolene complex cycloalkane substituent crystalline organic charge-transfer complexes disordered systems overlap integrals extended Hückel approximation Dirac electrons zero-gap semiconductors merging of Dirac cones |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910580206403321 |
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Naito Toshio
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||