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A conformational comparison of crystallographically independent molecules in organic crystals with achiral space groups

โœ Scribed by Gautham, N.


Book ID
114514791
Publisher
International Union of Crystallography
Year
1992
Tongue
English
Weight
193 KB
Volume
48
Category
Article
ISSN
0108-7681

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## Abstract Crystal structure generations with two independent molecules have been performed for a series of carboxylic acids, using a slightly modified version of the OPLS force field. It was found that in this way the experimental structures with one independent molecule were produced as special