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Local Investigation of Single Magnetic Molecules with Scanning Tunneling Microscopy
| Local Investigation of Single Magnetic Molecules with Scanning Tunneling Microscopy |
| Autore | Chen Jinjie |
| Pubbl/distr/stampa | KIT Scientific Publishing, 2018 |
| Descrizione fisica | 1 online resource (II, 128 p. p.) |
| Collana | Experimental Condensed Matter Physics / Karlsruher Institut für Technologie, Physikalisches Institut |
| Soggetto topico | Physics |
| Soggetto non controllato |
einzelnes magnetisches Molekül
inelastic excitation molecular contact molekularer Kontakt Rastertunnelmikroskopie scanning tunneling microscopy single magnetic molecule spin state Spinzustand unelastische Erregung |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346700703321 |
Chen Jinjie
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| KIT Scientific Publishing, 2018 | ||
| 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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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
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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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