Modelling 1H NMR Spectra of Organic Compounds Theory, Applications and NMR Prediction Software

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Modelling 1H NMR Spectra of Organic Compounds Theory, Applications and NMR Prediction Software by Abraham, Raymond J.; Mobli, Mehdi, 9780470723012
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  • ISBN: 9780470723012 | 0470723017
  • Cover: Hardcover
  • Copyright: 12/15/2008

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"This book deals with [superscript 1]H NMR chemical shifts and couplings and with the methods used to predict and model [superscript 1]H NMR spectra. [superscript 1]H chemical shifts in molecules of known conformation containing all the common functional groups in organic chemistry are presented. This data is evaluated using present theories of [superscript 1]H chemical shifts. These theoretical methods are included in two computer programs, HNMRSPEC and NMRpredict which calculate the [superscript 1]H NMR spectrum of any given compound from the molecular structure." "Ancillary programs for calculating the 3-dimensional structure of the molecule (PCMODEL) and plotting the [superscript 1]H NMR spectrum ([superscript 1]HPLOT) are described." "This book is aimed at graduates, researchers and industrial scientists and will be of use to any student or researcher who is using [superscript 1]H NMR spectroscopy as an aid in determining the structure and conformation of organic and bio-organic molecules."--BOOK JACKET.
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