Prediction of proton and carbon-13 NMR chemical shifts using chemical shift prediction programs
Includes bibliographical references. === Ab-initio, semi-empirical, and empirical calculations are used in computer programs separately or in conjunction with one another to calculate predicted chemical shifts for a wide range of chemical compounds. 1H-spectra for several flexible and rigid organic...
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| Format: | Dissertation |
| Language: | English |
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University of Cape Town
2014
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| Online Access: | http://hdl.handle.net/11427/7413 |