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A simple model of bond geometry and the stereoactivity of lone pairs

✍ Scribed by Thompson, H. Bradford; Wells, Madeleine; Weaver, Joan E.


Book ID
127271601
Publisher
American Chemical Society
Year
1978
Tongue
English
Weight
874 KB
Volume
100
Category
Article
ISSN
0002-7863

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The effects of carboxylate syn and anti lone pairs on the basicity of a water molecule were investigated using a combination of \(a b\) initio calculations and Monte Carks simulations. This system serves as a quantitative computational model for the stereoelectronic effects of the carboxylate lone p