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 20 of 73 for “"chemical bonding"”.
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Interplay between chemical bonding, band structure and charge transport in thermoelectric chalcogenides
… by inferring a correlation between metavalent bonding, octahedral coordination and high thermoelectric performance in crystalline p3 chalcogenides. A link between the three properties is proven by investigating charge transport in crystalline GeSexTe1-x and GexSn1-xTe alloys. The strong …
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Synthesis and Chemical Bonding of Lithium and Alkaline-Earth Metal-based Carbometallates
Organometallic molecules of nickel and palladium are typically employed as catalysts. Carbometallates are promising precursors for the synthesis of such organometallic compounds. Transition metal-to-carbon bonds are generally difficult to form in a typical organometallic synthesis. However in the …
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Mapping the learning trajectories of physical sciences teachers' topic specific knowledge for teaching chemical bonding
… with respect to their knowledge for teaching chemical bonding, in order to support other teachers and thereby accelerating the route to expertise. Learning can be viewed as change, and change has a trajectory. Mapping the learning trajectories, and the significant events that influenced …
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Crystal structure, electron density and chemical bonding in inorganic compounds studied by the Electric Field Gradient
… of the EFG can provide valuable insight into the chemical bonding. Whereas the experimental determination of the quadrupole frequency and the closely related EFG has been possible for more than 70 years, reliable values for calculated EFGs could not be obtained before 1985, when an EFG module was …
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Applications of Nuclear Quadrupole Double Resonance Spectroscopy
… can yield direct information about the nature of chemical bonding at a particular quadrupolar nucleus (S (GREATERTHEQ) 1) in a molecular crystal. However, due to experimental difficulties related to the low transition frequencies generally associated with the light nuclei (D, ('10)B, ('11)B, …
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The Physico-chemical Nature of the Chemical Bond: Valence Bonding and the Path of Physico-chemical Emergence
Through the development of physical chemistry and chemical physics over the late-nineteenth and early-twentieth centuries, the relationship between physics and chemistry changed to create a broad interdisciplinary framework in which chemists and physicists could make contributions to problems of …
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Microencapsulation of reactive amines and isocyanates and their application to self-healing systems
… chemistries are limited by relatively weak chemical bonding between the matrix and the healing material, temperature stability, and side reactions that degrade the active components. We demonstrate for the first time a two-part system that incorporates a healing chemistry similar to the …
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Students' Mental Models of Chemical Reactions
… research on topics such as atomic structure and chemical bonding indicates that students’ mental models are often inconsistent with the scientific models, which may impede learning of advanced concepts. International research suggests that model-based teaching and learning in science education …
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Ab-initio and thermodynamic study of 123I-MIBG and 76Br-MBBG : choosing an effective tracer and theoretical study of the binding mechanism of 1-allyl 2-Thiourea as a functional monomer of Methyl Nitrate template
… reaction energetics, and thermochemistry of chemical reactions is possible computationally. This is because computational methods are well able to help understand and also describe the dynamics of chemical bonding -- forming and breaking of chemical bonds. Hence, it becomes very important to …
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Crystal field aspects of vibrational spectra
… their electronic spectra, magnetochemistry and chemical thermodynamic properties. However, these theories have been ignored in relation to the explanation of changes observed in the infrared spectra of series of transition metal complexes on change of central cation. The purpose of this work is …
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Toward high thermoelectric performance of solids: ab initio forces within the orthogonalized linear combination of atomic orbitals method
… a valuable tool for understanding the nature of chemical bonding in quantum chemistry and solid-state physics. We follow Pulay's suggestion [Mol. Phys.17, 153 (1969)] to update the HF theorem by including contributions from changes in the wave function with respect to nuclear sites. Additionally, …
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Synthesis and characterization of metal-polyaniline thin films and membranes
… spectroscopy (XPS) were employed to study the chemical bonding and interactions between deposited metals and polyaniline at the interfaces. Acoustic transmission properties of metal-polyaniline membranes were characterized by measuring the insertion loss as a function of acoustic frequencies …
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Synthesis and Reactivity of Anthracene-Based Molecular Precursors for Low-Valent Boron Species
… developing a complete empirical understanding of chemical bonding. However, due in large part to a lack of suitable synthetic methodologies, the chemistry of numerous desirable functionalities remains poorly accessible. Herein, we report the synthesis of the first series of …
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The Relationship Between Recollection, Knowledge Transfer, and Student Attitudes Towards Chemistry
… concepts, including acid-base theory, chemical bonding and intermolecular forces (IMFs), appear throughout the undergraduate chemistry curriculum. The level of understanding of these foundational concepts influences the ability of students to recognize the relationships between …
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Electronic structure and transport in molecular and nanoscale electronics
… quasiatomic orbitals reveal the symmetry and chemical bonding nature of different molecular, surface and solid systems. With this minimal basis-set, quantum conductance and density of states of coherent electron transport are calculated by Green's function method in the Landauer formalism. …
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Rotational spectra and molecular structures of organometallic and organic molecules
Understanding the nature of chemical bonds constitutes a major theme of this thesis. This thesis investigates the gas phase rotational spectra, electronic charge distributions and molecular structures of organometallic and organic molecules, using high-resolution pulsed beam Fourier transform …
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Microscale controlled continuous cell culture
… flow reactions without volume drift. A novel bonding process is invented to fabricate devices with chemically stable interfaces against water, acids, and bases. We introduce a direct CNC machining and chemical bonding fabrication process for production of fluidic devices with a 1 mL working …
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Mathematical Analysis of Compressive/Tensile Molecular and Nuclear Structures
… dissertation, mathematical methods to present chemical bonding and other structures for many-particle systems are discussed at different levels (molecular, atomic, and nuclear). First, the tetrahedral geometry of single, double, or triple carbon-carbon bonds gives an unsatisfying demonstration …
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