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Showing 1 to 20 of 395 for “"Molecular structure"”.
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Ultracold Molecular Structure and Collisions
… chemistry. In this dissertation, we discuss the structure and collisions of ultracold molecules in the presence of external magnetic fields. We explore these topics in four main projects. First, we study ultracold chemical reactions of triplet-state NaLi ( a 3 Σ + ) molecules with Na atoms in the …
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Integrating natural language with molecular structure
… quickly. Broadly speaking, chemistry can provide molecular solutions to many of these problems: breakthrough drugs (e.g., kinase inhibitors), materials (e.g., organic photovoltaics), and chemical processes. The extremely large search spaces in which these solutions exist make AI tools critical for …
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Physicochemical properties and molecular structure of kiwifruit starch
… starch (e.g., its physicochemical properties and molecular structure) has remained very limited. In addition, the starch properties and contents may vary across the tissues of kiwifruit, and the starch structure may change with the growth stage of the fruit. This study aimed to investigate the …
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The Electronic and Molecular Structure of Vanadyl Chelates
Made available in DSpace on 2014-12-09T17:36:43Z (GMT). No. of bitstreams: 1 7013523.pdf: 3372121 bytes, checksum: 4c33498e689230afb6b2eb6241cd33fd (MD5) Previous issue date: 1969
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6,6’-Dimethoxygossypol: Molecular Structure, Crystal Polymorphism, and Solvate Formation.
<p>6,6’-Dimethoxygossypol (DMG) is a natural product of the cotton variety Gossypium barbadense and a derivative of gossypol. Gossypol has been shown to form an abundant number of clathrates with a large variety of compounds. One of the primary reasons why gossypol can form clathrates has been …
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USE AND MACRO-MOLECULAR STRUCTURE OF SILICA POLYAMINE COMPOSITES
The use and macro-molecular structure of silica polyamine composites was examined through a series of experiments. Precious metals were removed from both prepared and industrial solutions to gain familiarity with the composites and to develop separation procedures. A number of methods were …
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USE AND MACRO-MOLECULAR STRUCTURE OF SILICA POLYAMINE COMPOSITES
The use and macro-molecular structure of silica polyamine composites was examined through a series of experiments. Precious metals were removed from both prepared and industrial solutions to gain familiarity with the composites and to develop separation procedures. A number of methods were …
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Insights into asphaltene stability, aggregation, deposition and molecular structure
… this body of work is to depict the fundamental structure and behaviour of asphaltenes for ultimate application in different operating conditions. In this treatise, asphaltenes are studied over a wide range length scale, ranging from the macro to the molecular scale. Following a literature …
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Molecular structure and antibacterial function of hop resin materials
Spoilage of beer by lactic acid bacteria (Lactobacillus spp., Pediococcus spp.) has considerable economic significance. Compounds derived from the hop (Humulus lupulus) possess antibacterial activity but their role in prevention of beer spoilage has been disputed. Prior to the present study, the …
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Relationships between polymer additive molecular structure and intumescent flame retardant behaviour.
… studies of the relationship between the molecular structure of a range of organophosphorus-based polymer additives and their ability to confer intumescent flame retardant properties on the resulting polymers. The development of intumescent fire retardants is discussed along with the …
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Improved Constrained Global Optimization for Estimating Molecular Structure From Atomic Distances
<p>Determination of molecular structure is commonly posed as a nonlinear optimization problem. The objective functions rely on a vast amount of structural data. As a result, the objective functions are most often nonconvex, nonsmooth, and possess many local minima. Furthermore, introduction of …
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Thermodynamic Property Prediction for Solid Organic Compounds Based on Molecular Structure
… selection of the chemical groups and/or molecular descriptors to be used as independent variables, calculation of coefficient values using the training set, addition of groups where refinement is needed, and a final testing of the resultant correlation against an independent test set of …
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Processing Dependent Mechanical Behavior and Molecular Structure of Electrospun Polymeric Nanofibers
Finally, a semi-empirical model was proposed to capture the viscous response of PAN nanofibers. At small viscoelastic deformations, the model is composed of a set of linear springs and dashpots, appropriately assembled to capture the strain rate sensitive elastic modulus and creep behavior of the …
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Studies in molecular structure of plant polysaccharides : exudates from Encephalartos species
… forms part of a general programme in which the molecular structure of plant polysaccharides, particularly those that occur as gummy exudates from trees, are studied. Variations in the molecular structure of the polysaccharides are linked with the taxonomy of the plant concerned; this link with …
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Molecular Structure and Dynamics of Novel Polymer Electrolytes Featuring Coulombic Liquids
… to be developed. In this dissertation, the molecular structure and dynamics of three emerging types of polymer electrolytes featuring Coulombic liquids, i.e., polymerized ionic liquids (polyILs), nanoscale ionic materials (NIMs), and polymeric ion gels, were investigated using molecular …
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Relationship between molecular structure and surface properties of self-assembled monolayers
Polyimides are frequently used as insulating layers in the microelectronics industry. These polymers are tough, have high thermal stability, and have favorable dielectric properties; consequently, polyimides are excellent materials for insulating layers in microelectronic devices. In this research, …
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