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.
Results
Showing 1 to 14 of 14 for “"Single Bonds"”.
-
Synthesis and Optical Properties of Four Oligothiophene-Ruthenium Complexes and Synthesis of a Bidentate Ligand for C-F Bond Activation
… but fluorescence is quenched when connected. Bonds of carbon to fluorine are among the strongest single bonds. Single bonds between carbon and hydrogen are also very strong and are ubiquitous. The ability to manipulate these bonds is of great interest to chemists. Two tungsten metal complexes, …
-
Novel Quantum Chemistry Algorithms Based on the Variational Quantum Eigensolver
… improvable and, for X = 3 or X = ∞, can break single bonds, which LCCSD cannot do. The overall aim of this work is to showcase the richness of the VQE algorithm and the breadth of its derivative applications.
-
Investigation of structural properties in biomolecular systems using synchrotron-based spectroscopies
… sought for. The second example focuses on the single-molecule and submolecular scale in metalprotein hybrid compounds with the aim to identify the binding site of metal atoms or ions within protein molecules and the underlying interaction mechanisms. The most fundamental structural scale, the …
-
A multireference coupled-cluster method using a single-reference formalism.
The coupled-cluster (CC) equations including single, double, triple and quadruple excitations (CCSDTQ) are qraphically derived using Feynman diagrams. These equations are programmed and an iterative reduced linear equation method is used to solve these equations. A few points on the potential …
-
Evaluation of Peanut Skin Extract, Grape Seed Extract, and Grape Seed Extract Fractions to Reduce Populations of Select Foodborne Pathogens
… type A and type B. Type A (PSE), contains two single bonds connecting the phenolic groups while type B (GSE), contains one single bond connecting the phenolic groups. The minimum inhibitory concentration (MIC) of the two extracts was evaluated for their antimicrobial effect on Listeria …
-
Therapy of porphyria with oral activated charcoal
… state, the four pyyrole rings being connected by single-bonded methylene bridges. Four pyrrole rings are connected by single bonds. The corresponding conjugated forms are known as the porphyrins, in which the rings are connected by double-bonded methene bridges). The conversion occurs …
-
Interaction of Light and Conjugated Polymers in Plasmonic Nanogaps
… by a backbone of alternating double and single bonds, exhibit unique optical and electronic properties due to their delocalized electrons. These properties make them suitable for various applications, including organic transistors, electrochromic displays, and flexible electronics. …
-
AB INITIO and DFT computational study of Myristinin A and A structurally- related molecule
… obtainable by rotations about relevant single bonds), and of the factors stabilising the conformers. Full-optimisation calculations were performed in vacuo and also in three conveniently selected solvents. The results show that the dominant stabilising factors are the first IHB and the …
-
Theoretical study of nanocrystals and other functional nanostructures of silicon and alternative group - 14 elements
… “contamination” of four different modes (double bonds, bridging single bonds, hydroxyl formation and mixed modes). b) Analogous quantum dots, pure and mixed (core/shell) of C, Si, Ge, and Sn. c) Ultrafine silicon and germanium nanowires of various growth patterns. The majority of this work is …
-
Développement de nouveaux produits époxy biosourcés à base de dioxyde de limonène
… rings consisting of an oxygen atom joined by single bonds to two adjacent carbon atoms. Epoxy polymers are one of the most widely used polymers in various sectors such as automobiles, coatings, semiconductor encapsulants, paints, adhesives, and aerospace. They possess interesting properties …
-
S=N versus S+-N-
… the bond paths, which showed some of the S,N bonds to be considerably bent. In the central part of the thesis detailed topological analyses of the electron density distributions were performed. All BCPs and the related electronical properties as the electron density, the negative Laplacian, …
-
Aprovechamiento integral de residuos sólidos de curtición. Implicaciones medioambientales
… mainly graphitic carbon, with some content of single bonds with oxygen (-OH, C-O-C (aliphatic, ethers), epoxides) and carbonyl oxygen in ester and anhydrides, and nitrogen of pyrrole/pyridone, and to a lesser extent pyridine, The chemical characteristics of the ACs make them potentially …