Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 7 of 7 for “"FRONTIER MOLECULAR ORBITALS"”.
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A New Terazulenic Platform
… the design of materials for applications in molecular electronics. One of the special interests is the design of molecular rectifiers. This thesis includes the work toward a novel rectifying molecule. A terazulenic scaffold with electron-donating and electron-withdrawing groups at odd and …
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Benzimidazole-Based Fluorophores and Noncovalent Organic Frameworks
The previous studies of molecular cruciforms based on distyrylbis(arylethynyl)benzenes, tetrakis(arylethynyl)benzenes, tetrakis(alkynyl)ethenes, and benzobisoxazole cruciforms, and their use as chemical sensors will be introduced and summarized. We construct a simpler "half cruciform" architecture …
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ΦΑΣΜΑΤΟΣΚΟΠΙΚΗ ΚΑΙ ΗΛΕΚΤΡΟΧΗΜΙΚΗ ΜΕΛΕΤΗ ΕΝΩΣΕΩΝ ΣΥΝΑΡΜΟΓΗΣ ΤΟΥ ΚΟΒΑΛΤΙΟΥ (ΙΙΙ) ΚΑΙ ΧΑΛΚΟΥ (ΙΙ) ΜΕ Β-ΔΙΟΝΕΣ
… ARE THE RACAH PARAMETER B AND THE ENERGY OF THE FRONTIER MOLECULAR ORBITALS. FURTHERMORE IT WAS ESTABLISHED THAT THE INDUCTIVE EFFECTS MODIFY THE SPHERICAL PORTION OF THE LIGAND FIELD AND THAT THE NEPLELAUXETIC EFFECT MUST BE CONSIDERED AS THE RESULT OF BOTH KINDS OF COVALENT INTERACTIONS. THE …
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Design, synthesis and characterization of thiazole-based conjugated polymers and their applications to n-channel organic electronics
… mobilities by advancing intra- and inter-molecular interactions between polymer chains, and the enhancement of ambient stability by decreasing the energy levels of frontier molecular orbitals. The structure-process-property relationships of thiazole-based n-channel conjugated polymers are …
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Exploring the Optical and Redox Properties of π-Conjugated Boron Difluoride Formazanate Dyes
… interactions, etc. to modulate the frontier molecular orbitals and band gaps of these systems. The resulting materials are redox-active and exhibit rich optical properties including high molar absorptivities and low band gaps. Chapter 2 describes a series of acceptor-donor-acceptor …
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Study Of Covalent And Non-Covalent Interactions In Ternary Systems Involving: Metal/DNA-RNA/Protein, Where Metal = Platinum(II), Palladium(II)
… change in the energy for the lowest unoccupied molecular orbital (LUMO) in the coordinated nucleobases, which could place this orbital in an favored position to interact with the highest occupied molecular orbital (HOMO) in the tryptophan residue. Results from calculations showed a good …
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Redox-Active Trivalent Metallosurfactants With Low Global Symmetry For Molecule-Based Electronics: Spectroscopic, Electrochemical, And Amphiphilic Properties Of New Molecular Materials For Current-Voltage Measurements In M|lb-Monolayer|m Devices
… components, the investigation of nanoscale molecular electronic devices is of great importance. This dissertation research is focused on the development of redox-active asymmetric metallosurfactants as potential candidates for molecule-based electronics. Asymmetric donor-acceptor type [D-A] …