Calculation of Van der Waals Interactions and Hydrogen Bonding in Crystals

The coordinates of the dimethylglyoxime atoms in the crystal structure may be predicted by locating the deepest minimum of the potential energy which depends on three rotational degrees of freedom. Standard bond distances and bond angles have been assigned to the molecule and the space group symmetr...

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Bibliographic Details
Published in:Nature (London) 1969-04, Vol.222 (5191), p.339-341
Main Author: GIGLIO, EDOARDO
Format: Article
Language:English
Subjects:
Humanities and Social Sciences
multidisciplinary
Science
Science (multidisciplinary)
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Summary:The coordinates of the dimethylglyoxime atoms in the crystal structure may be predicted by locating the deepest minimum of the potential energy which depends on three rotational degrees of freedom. Standard bond distances and bond angles have been assigned to the molecule and the space group symmetries have been assumed known.
ISSN:0028-0836
1476-4687
DOI:10.1038/222339a0