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Theses & Dissertations


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Martin, Ned


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TitleDateViewsBrief Description
Using computational methods to predict NMR spectra for polyether compounds 2009 2728 Naturally occurring polyether ring compounds have been studied extensively over the past several years because of their importance as biologically active hemolytic and neurotoxic substances produced by various marine phytoplankton species. These s...
Computed NMR shielding values of unsaturated five-membered-heterocyclic ring compounds and their benzo-analogs as a measure of aromaticity 2008 2083 The gauge independent atomic orbital (GIAO) Hartree-Fock (HF) technique with a 6-31 G(d, p) basis set was used to calculate the isotropic NMR shielding values of a diatomic hydrogen probe above a set of unsaturated 5-membered heterocyclic aromatic ...