Affiliation:
1. Department of Physical Chemistry, University of Ulm
Abstract
On the basis of three different force fields the zero point average structure of dimethylsulfoxide has been calculated. Three different types of calculation were performed. It is found that the different force fields virtually do not affect the resulting parameters while the results from different types of calculation agree within three times the standard errors. The asymmetry of the methyl groups found with the calculation scheme of the rs-structure is also present in the average structure.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics
Cited by
16 articles.
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