Matches in SemOpenAlex for { <https://semopenalex.org/work/W2797627814> ?p ?o ?g. }
Showing items 1 to 79 of
79
with 100 items per page.
- W2797627814 abstract "A well-known drawback of Raman spectroscopy is the low signal intensity. Therefore, the present thesis aims to elucidate the fundamental principles in state-of-the-art signalenhanced Raman spectroscopy, i.e. resonance Raman (RR), surface-enhanced Raman scattering (SERS) and tip-enhanced Raman scattering (TERS). Firstly, a new approach to evaluate RR scattering is discussed. This new approach, called real-time method, can evaluate the polarizabilitiy tensor in the time domain. The new method is benchmarked by being compared to other two well-known methods. All three methods give comparable results, and consequently, the novel computational approach is validated. Afterwards, the chemical e_ect of SERS is studied by means of a theoretical spectroscopic analysis of the cis/trans-isomers of a molecular switch, the penta-2,4-dienoic acid, attached to gold clusters of di_erent size (1, 2 and 20 gold atoms). By simulation of vibrational (IR, Raman and RR) and electronic spectroscopy (UV-vis), the e_ect of the molecule-metal nanoparticle interaction can be studied. Special emphasis is put on the resonance Raman spectra for the study of the isomers. In the present case, resonance Raman scattering is best suited to discriminate between the isomers on the gold clusters. Finally a full quantum chemical description of the non-resonant chemical e_ects of the Raman spectrum of an adenine molecule mapped by a silver tip is presented. The tip is modeled as a single silver atom and as a small silver cluster. Pronounced changes in the Raman pattern and its intensities depending on the conformation of the nanoparticlesubstrate system are found, concluding that the spatial resolution of the chemical contribution in TERS can be in the sub-nm range." @default.
- W2797627814 created "2018-04-24" @default.
- W2797627814 creator A5003951129 @default.
- W2797627814 date "2017-01-01" @default.
- W2797627814 modified "2023-09-24" @default.
- W2797627814 title "Quantum chemical investigation towards Raman enhancement effects" @default.
- W2797627814 hasPublicationYear "2017" @default.
- W2797627814 type Work @default.
- W2797627814 sameAs 2797627814 @default.
- W2797627814 citedByCount "0" @default.
- W2797627814 crossrefType "dissertation" @default.
- W2797627814 hasAuthorship W2797627814A5003951129 @default.
- W2797627814 hasConcept C113196181 @default.
- W2797627814 hasConcept C120665830 @default.
- W2797627814 hasConcept C121332964 @default.
- W2797627814 hasConcept C139210041 @default.
- W2797627814 hasConcept C164866538 @default.
- W2797627814 hasConcept C169573571 @default.
- W2797627814 hasConcept C178790620 @default.
- W2797627814 hasConcept C184779094 @default.
- W2797627814 hasConcept C185592680 @default.
- W2797627814 hasConcept C199360897 @default.
- W2797627814 hasConcept C205309187 @default.
- W2797627814 hasConcept C24123453 @default.
- W2797627814 hasConcept C2781340169 @default.
- W2797627814 hasConcept C32891209 @default.
- W2797627814 hasConcept C32909587 @default.
- W2797627814 hasConcept C40003534 @default.
- W2797627814 hasConcept C41008148 @default.
- W2797627814 hasConcept C41999313 @default.
- W2797627814 hasConcept C62520636 @default.
- W2797627814 hasConcept C76308580 @default.
- W2797627814 hasConceptScore W2797627814C113196181 @default.
- W2797627814 hasConceptScore W2797627814C120665830 @default.
- W2797627814 hasConceptScore W2797627814C121332964 @default.
- W2797627814 hasConceptScore W2797627814C139210041 @default.
- W2797627814 hasConceptScore W2797627814C164866538 @default.
- W2797627814 hasConceptScore W2797627814C169573571 @default.
- W2797627814 hasConceptScore W2797627814C178790620 @default.
- W2797627814 hasConceptScore W2797627814C184779094 @default.
- W2797627814 hasConceptScore W2797627814C185592680 @default.
- W2797627814 hasConceptScore W2797627814C199360897 @default.
- W2797627814 hasConceptScore W2797627814C205309187 @default.
- W2797627814 hasConceptScore W2797627814C24123453 @default.
- W2797627814 hasConceptScore W2797627814C2781340169 @default.
- W2797627814 hasConceptScore W2797627814C32891209 @default.
- W2797627814 hasConceptScore W2797627814C32909587 @default.
- W2797627814 hasConceptScore W2797627814C40003534 @default.
- W2797627814 hasConceptScore W2797627814C41008148 @default.
- W2797627814 hasConceptScore W2797627814C41999313 @default.
- W2797627814 hasConceptScore W2797627814C62520636 @default.
- W2797627814 hasConceptScore W2797627814C76308580 @default.
- W2797627814 hasLocation W27976278141 @default.
- W2797627814 hasOpenAccess W2797627814 @default.
- W2797627814 hasPrimaryLocation W27976278141 @default.
- W2797627814 hasRelatedWork W1554027981 @default.
- W2797627814 hasRelatedWork W1596293216 @default.
- W2797627814 hasRelatedWork W1728489566 @default.
- W2797627814 hasRelatedWork W1977439191 @default.
- W2797627814 hasRelatedWork W1988524872 @default.
- W2797627814 hasRelatedWork W2002143887 @default.
- W2797627814 hasRelatedWork W2016021548 @default.
- W2797627814 hasRelatedWork W2017301115 @default.
- W2797627814 hasRelatedWork W2024902047 @default.
- W2797627814 hasRelatedWork W2038400222 @default.
- W2797627814 hasRelatedWork W2049148635 @default.
- W2797627814 hasRelatedWork W2051595952 @default.
- W2797627814 hasRelatedWork W2083764438 @default.
- W2797627814 hasRelatedWork W2128351254 @default.
- W2797627814 hasRelatedWork W2359382937 @default.
- W2797627814 hasRelatedWork W2464388702 @default.
- W2797627814 hasRelatedWork W2996580741 @default.
- W2797627814 hasRelatedWork W315139306 @default.
- W2797627814 hasRelatedWork W52599956 @default.
- W2797627814 hasRelatedWork W70262406 @default.
- W2797627814 isParatext "false" @default.
- W2797627814 isRetracted "false" @default.
- W2797627814 magId "2797627814" @default.
- W2797627814 workType "dissertation" @default.