Semi-empirical calculations on the structure of the uronium ion

Harkema, S. (1972) Semi-empirical calculations on the structure of the uronium ion. Journal of Molecular Structure, 12 (3). pp. 465-470. ISSN 0022-2860

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Abstract:	Semi-empirical calculations (CNDO/2) on the structure of the uronium ion are presented. Assuming a planar ion with fixed bond lengths, the bond angles involving the heavy atoms can be calculated with fair accuracy. Changes in bond length and angles, which occur upon protonation of the urea molecule, can be explained by the calculations.
Item Type:	Article
Copyright:	© 1972 Elsevier Science
Link to this item:	http://purl.utwente.nl/publications/68039
Official URL:	http://dx.doi.org/10.1016/0022-2860(72)87052-2
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