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Showing 1 to 20 of 62 for “"solvent effects"”.
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Solvent Effects on the Radical Cage Reaction
Made available in DSpace on 2014-12-10T23:01:57Z (GMT). No. of bitstreams: 1 7500386.pdf: 6717710 bytes, checksum: 17519db073180fa532c7c225db92f515 (MD5) Previous issue date: 1974
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Electronic and solvent effects on monosaccharide conformations
… for gauche conformations has been attributed to solvent effects, stereo-electronic effects and hydrogen bonding; yet the experimentally obtained hydroxymethyl rotational populations have not yet been fully rationalised. In this dissertation, I have used a range of ab initio, Molecular Dynamics …
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Electronic and solvent effects on monosaccharide conformations
… for gauche conformations has been attributed to solvent effects, stereoelectronic effects and hydrogen bonding; yet the experimentally obtained hydroxymethyl rotational populations have not yet been fully rationalised. In this dissertation, I have used a range of ab initio, Molecular Dynamics …
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Solvent effects in the decarboxylation of 3-carboxybenzisoxazoles.
Massachusetts Institute of Technology. Dept. of Chemistry. Thesis. 1970. Ph.D.
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Solvent Effects in the Hydrogenolysis of Allyl Phenyl Ether
No abstract prepared.
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Developing predictive tools for solvent effects on thermodynamics and kinetics
Solvents are ubiquitous in many industrially, environmentally, and medically relevant chemical systems. Solvents can strongly affect species thermochemistry and reaction kinetics, and a different solvent choice can lead to completely different reaction outcomes and phase equilibria. Accurate …
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A Quantitative Analysis of Solvent Effects on Keto-Enol Tautomeric Equilibria
Solvent dependent tautomeric equilibria of dimedone, 2-methyl-1,3-cyclohexanedione, anthrone, acetylacetone, ethyl acetoacetate and 3-oxabicyclo{4.3.0}-2,9-dioxononane, representative of the major classes of (beta)-dicarbonyl and phenolic tautomeric equilibria, are determined in a variety of …
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An Investigation of Solvent Effects on the Saponification Rates of Aliphatic Esters
No abstract prepared.
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Sample introduction and solvent effects in an argon and helium microwave induced plasma
… of samples are dissolved in some sort of solvent. Unfortunately, for most modes of sample introduction, a large portion of the solvent is simultaneously introduced to the plasma discharge along with the analyte species. The plasma is thus required not only to sufficiently excite the …
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Positronium complex formation: mechanisms, solvent effects and its application to the study of molecular phenomena
… A study was performed to evaluate what role the solvent plays in stabilizing the complexes formed between Ps and nitroaromatics in solution and the various thermodynamic variables associated with these processes. This study also included the evaluation of the effects displayed by several …
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A model for the calculations of solvent effects on reaction rates for process design purposes
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 1999.
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The kinetics and solvent effects on the thermal decomposition of isopropyl peroxide and 1, 2-dioxane
… studies have been carried out at l400C in these solvents. The decomposition of isopropyl peroxide was shown to be unimolecular with energies of activation in toluene, and methanol of 39.1, 23.08 Kcal/mole respectively. It has been shown that the rates of H2 formation in decomposition of isopropyl …
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Part One: Solvent Effects on Ion Association. Part Two: Donor Properties of a Free-Radical Base
Made available in DSpace on 2015-05-12T22:35:25Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 7121170.PDF: 3507187 bytes, checksum: 1971cd94d83f31ac541210d540101b33 (MD5) Previous issue date: 1971
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Remaining Unperturbed by the Vibrational Response: Probing Vibrational Coupling, Relaxation, and Solvent Effects with 2D IR Spectroscopy
… flow, structural determination, and solute-solvent interactions. A major focus of the research projects covered in this work will be on Intramolecular Vibrational Energy Redistribution (IVR) on two key systems. The first feature aromatic compounds that incorporate a heavy atom (selenium) as …
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Electron Paramagnetic Resonances Studies of High Symmetry Molybdenum(v) and Solvent Effects of Square Planar Copper(ii) Complexes
Made available in DSpace on 2014-12-15T23:17:45Z (GMT). No. of bitstreams: 1 8302920.pdf: 6065188 bytes, checksum: 2512c0a40b2e318c473fce9c2f9691b2 (MD5) Previous issue date: 1982
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Determination of Allosteric Solvent Effects Between Acetylcholinesterase and Mosquito Selective Carbamates: Implications for High Throughput Screening of Insecticides
… of these insecticides while using ethanol as a solvent. Re-screening of these carbamates in the presence of 0.1% DMSO (v/v) resulted in antagonism of inhibition for AgAChE, thus reducing the AgAChE-selectivity by at least 10-fold. However, the presence of 0.1% DMSO did not antagonize the …
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Simulating biochemical physics with computers
… of three parts. The first part is to argue the solvent effects on the solvatochromic shift of the n ! !* excitation of acetone in ambient and supercritical water fluid using a hybrid QM!CI/MM potential in MC simulations. The solute is described by the AM1 approach and water molecules are treated …
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The High Affinity Anti-Fluorescyl Immunoglobulin-M Response in Rabbits
… Characterization of protein-ligand interactions, solvent effects and the microenvironment of induced IgM antibody was feasible due to the spectral properties of fluorescein.
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New insights into the binding site formation and the performance of molecularly imprinted polymers
… Chapter 3 describes studies done to understand solvent effects on the binding performance of the imprinted polymers. Strong correlation between solvent-polymer interactions and enantioselectivity, and the visual inspection of the Benesi-Hildebrand plots of the enantiomers provided evidences that …
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