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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

The chemistry of thione S-imides

Penton, Harold Roy 05 1900 (has links)
No description available.
2

The mass spectrometric and theoretical study of some cumulene oxides of potential interstellar significance : submitted for the degree of Doctor of Philosophy (Ph.D.) /

Fitzgerald, Mark, January 2004 (has links) (PDF)
Thesis (Ph.D.)--University of Adelaide, School of Chemistry and Physics, Discipline of Chemistry, 2004. / "August 2004" Includes bibliographical references (leaves 172-181).
3

Part I, Design and realization of dipole parallel-aligned crystal lattices ; Part II, Deamination of Guanine and the hydrolysis of heterocumulenes

Lewis, Michael Lewis, Michael January 2001 (has links)
Thesis (Ph. D.)--University of Missouri-Columbia, 2001. / Typescript. Vita. Includes bibliographical references. Also available on the Internet.
4

Part I, Design and realization of dipole parallel-aligned crystal lattices ; Part II, Deamination of Guanine and the hydrolysis of heterocumulenes /

Lewis, Michael Lewis, Michael January 2001 (has links)
Thesis (Ph. D.)--University of Missouri-Columbia, 2001. / Typescript. Vita. Includes bibliographical references. Also available on the Internet.
5

Heteroaryl(trifluoromethyl)carbenes and related strained cumulenes under matrix isolation conditions

Wang, Jian. January 2007 (has links)
Thesis (Ph. D.)--University of Nevada, Reno, 2007. / "December, 2007." Includes bibliographical references (leaves 172-178). Online version available on the World Wide Web.
6

Substituent Effects: A Computational Study on Stabilities of Cumulenes and Low Barrier Hydrogen Bonds

Kumar, Ganesh Angusamy 08 1900 (has links)
The effect of substituents on the stabilities of cumulenes-ketenes, allenes, diazomethanes and isocyanates and related systems-alkynes, nitriles and nitrile oxides is studied using the density functional theory (B3LYP, SVWN and BP86) and ab initio (HF, MP2) calculations at the 6-31G* basis set level. Using isodesmic reactions, correlation between stabilization energies of cumulenes and substituent group electronegativities (c BE) is established and the results from DFT and MP2 methods are compared with the earlier HF calculations. Calculations revealed that the density functional methods can be used to study the effect of substituents on the stabilities of cumulenes. It is observed that the cumulenes are stabilized by electropositive substituent groups from s -electron donation and p -electron withdrawal and are destabilized by electronegative substituent groups from n-p donation. The calculated geometries of the cumulenes are compared with the available experimental data.High level ab initio and density functional theory calculations have been used to study the energetics of low-barrier hydrogen bond (LBHB) systems. Using substituted formic acid-formate anion complexes as model LBHB systems, hydrogen bond strength is correlated to the pKa mismatch between the hydrogen bond donor and the hydrogen bond acceptor. LBHB model systems are characterized by the 1H-NMR chemical shift calculations. A linear correlation between the calculated hydrogen bond strength and the predicted 1H-NMR chemical shift was established. It is concluded that the pKa matching within the enzyme active site of the two species involved in the LBHB is important to maximizing catalytic stabilization.

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