ISSN:
0030-4921
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Some INDO/S parameterized SOS shielding calculations are reported for the nitrogen nuclei of some N-heterocycles. Hydrogen bonding with H2O and CF3CH2OH is incorporated in a supermolecule approach. The calculated effects of hydrogen bonding are found to be in satisfactory agreement with observed nitrogen shielding variations upon a change of solvent.
Additional Material:
1 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/omr.1270210810
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