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Intramolecular Hydrogen Bonding 2021
| Intramolecular Hydrogen Bonding 2021 |
| Autore | Jabłoński Mirosław |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (246 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
intramolecular interaction
interaction energy hydrogen bond intramolecular hydrogen bonds deuterium isotope effects on chemical shifts isotope ratios hydrogen bond energies intramolecular hydrogen bonding high-accuracy extrapolation methods QTAIM non-covalent interactions local vibrational modes hydrogen bond (HB) intramolecular hydrogen bond (IHB) molecular tailoring approach (MTA) fragmentation methods bond energy estimation noncovalent interactions structures and binding energies charge-transfer interactions spin-spin coupling constants polymorphism isomerization phase transition nitro group matrix isolation IINS FT-IR Raman X-ray NQR DSC DFT Schiff base N-salicylidene aniline derivative photophysical properties solvatochromism Hirshfeld surface analysis amino-alcohols α-substitution beryllium bonds calculated infrared spectra interacting quantum atoms resonance-assisted hydrogen bond Schiff bases inelastic incoherent neutron scattering isotopic effect excited-state intramolecular proton transfer photochemistry photobiology quantum chemistry molecular dynamics ultrafast processes gas phase crystalline phase MP2 CCSD AIM SAPT nuclear quantum effects CPMD |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557663903321 |
Jabłoński Mirosław
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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 | ||
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