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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 116 for “"molecular properties"”.
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Molecular Properties of Enolases
Made available in DSpace on 2014-12-09T17:35:49Z (GMT). No. of bitstreams: 1 6801717.pdf: 4058278 bytes, checksum: 77459016889d4ba7b17b7452a24f0ee0 (MD5) Previous issue date: 1967
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Conservation of Molecular Properties of Aldolases in Phylogeny
Made available in DSpace on 2014-12-05T19:38:08Z (GMT). No. of bitstreams: 1 6303258.pdf: 4458697 bytes, checksum: 1dbe69ad8b0eca31f32e0ca3b9efe2ba (MD5) Previous issue date: 1962
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The Effect of Molecular Properties on Interfacial Resistance
Made available in DSpace on 2014-12-05T17:15:14Z (GMT). No. of bitstreams: 1 0010548.pdf: 2845089 bytes, checksum: 50c035265cd0af8dba24eb2904602731 (MD5) Previous issue date: 1954
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Chemical and molecular properties of processed soy proteins
Selected chemical and molecular properties of two soy flours, two soy isolates, three textured soy products, one soy concentrate and raw and autoclaved soy meal were determined. Product protein content ranged from 33.1% to 86.7% and reported PER's ranged from 1.1 to 2.3. Hydrophobic and disulfide …
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Isolation and Molecular Properties of Rat Liver Malic Dehydrogenase
Made available in DSpace on 2014-12-05T19:37:10Z (GMT). No. of bitstreams: 1 5904513.pdf: 2122048 bytes, checksum: c6e4b023329d68610535f6c0a0f187b8 (MD5) Previous issue date: 1959
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Accurate Calculations of Molecular Properties with Explicitly Correlated Methods
… our studies were extended to the computation of molecular properties with the MP2-F12 method, and its performance was assessed for prediction of the electric dipole and quadrupole moments of the BH, CO, H2O, and HF molecules (J. Zhang and E. F. Valeev, in preparation for submission). First, …
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Molecular properties of aspartate transcarbamoylase and related enaymes from wheat
Studies on the molecular organisation and properties of the first three enzymes of pyrimidine biosynthesis, carbamoyl phosphate synthetase (CPTase), aspartate transcarbamoylase (ATCase) and dihydroorotase (DHOase), in various organisms have been reviewed. The molecular organisation of these three …
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The Cellular and Molecular Properties of Flavinoids in Prostate Cancer Chemoprevention
… of novel anti-proliferative flavonoids, their molecular effects on cell cycle and related proliferation and survival pathways, and their chemopreventive properties in a murine model of prostate carcinogenesis. We identified several novel flavonoids with potent anti-proliferative effects in …
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Synthesis and molecular properties of zwitterionic adducts of TCNQ and other related compounds
… analogues have been prepared and their properties compared and contrasted. The solvatochromic behaviour of these zwitterions was investigated in detail by dissolution in a range of organic solvents and measurement of their longest wavelength charge-transfer absorption bands using …
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Accurate Computation Of Molecular Properties From Novel Applications Of Quantum Mechanical Wavefunction Methods
… methods have been applied to compute molecular properties of weakly-bound clusters. This work focuses on both extending the applicability of robust theoretical methods to larger systems and also determining the inherent accuracy of ab initio methods when compared to experimentally …
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The Molecular Properties of Beta-Lipovitellin as Influenced by Enzymic and Other Treatments
Made available in DSpace on 2014-12-09T14:36:53Z (GMT). No. of bitstreams: 1 6604280.pdf: 2902189 bytes, checksum: fc25ecbf458233787583d00aa54848b3 (MD5) Previous issue date: 1965
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Development of non-born-Oppenheimer methods for ground and excited state molecular properties
… for calculating both ground and excited state molecular properties. For the ground state, a general multicomponent embedding scheme is developed and tested within the NEO framework to obtain nuclear densities. Machinery is also presented for identifying the character and stability of NEO …
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The Efficient Computation of Field-Dependent Molecular Properties in the Frequency and Time Domains
… computation of dynamic (time-dependent) molecular properties is a broad field with numerous applications in aiding molecular synthesis and design, with a particular preva- lence in spectroscopic predictions. Typical methods for computing the response of a molecu- lar system to an …
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Investigation of real-time coupled cluster methods for the efficient calculation of optical molecular properties in the time domain
Optical and spectroscopic molecular properties are key to characterizing the behavior of molecules interacting with an applied electromagnetic field of light. Response theory has been used for a long time to calculate such properties in the frequency domain. Real-time (RT) methods solve for the …
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Message passing neural networks for molecular property prediction
… relies heavily on understanding the various molecular properties of potential drug candidates. While experimental assays performed in the lab are the best source of information about molecular properties, these assays are slow and expensive. For this reason, there has been great interest in …
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Unravelling the role of microbiome and Escherichia coli as a trigger for Inflammatory Bowel Disease with a particular focus on Crohn's disease.
… focus on E. coli, to determine if genes or molecular properties of E. coli are associated with tissue type, including lymph nodes and the initial CD lesion (aphthous ulcer), or adult and paediatric isolates. We also aimed to determine the association of genes and molecular properties of E. …
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Unravelling the role of microbiome and Escherichia coli as a trigger for Inflammatory Bowel Disease with a particular focus on Crohn's disease.
… focus on E. coli, to determine if genes or molecular properties of E. coli are associated with tissue type, including lymph nodes and the initial CD lesion (aphthous ulcer), or adult and paediatric isolates. We also aimed to determine the association of genes and molecular properties of E. …
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Optimization of the valence energy variance of the CuH molecule
… a simple two parameter CuH wave function. Molecular properties (spectroscopic constants and the dipole moment) are calculated for the optimized and nearly optimized wave functions using the Variational Quantum Monte Carlo method. Our best results are comparable to those from the single and …
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