DOI: 10.1039/A708102B
(Paper)
Reference Section for: J. Chem. Res. (S), 1998, 296-297
Conformational Analysis of N-Methylpyrrolidine Betaine Hydrochloride by X-Ray Diffraction and Ab Initio Calculations
(Note: The full text of this document is currently only available in the PDF Version )
Zofia Dega-Szafran, Małgorzata Ratajczak-Sitarz, Lucyna Prawniczak, Zofia Kosturkiewicz, Jacek Koput and Mirosław Szafran
Abstract
The structure of the title compound in the solid state and its five most stable conformers in the gas phase have been analysed by X-ray diffraction, and by MP2/6-31G(d,p) and BLYP/6-31G(d,p) calculations, respectively.
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