Intermolecular interactions of methyl acetate, β-propiolactone,ethyl acetate,and γ-butyrolactone: An AM1 semiempirical study |
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Authors: | Nicholas Bodor Ming-Ju Huang |
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Abstract: | Closely related structures, like esters and lactones, have vastly different physical properties. This is apparently due to differences in the intermolecular interactions. The intermolecular interactions of methyl acetate, β-propiolactone, ethyl acetate, and γ-butyrolactone have been studied using the AM1 semiempirical method. Some of the “arranged clusters” were also compared to possible covalently bound trimers and tetramers of β-propiolactone and γ-butyrolactone. © 1992 John Wiley & Sons, Inc. |
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