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An ab initio study of the influence of crystal packing on the host–guest interactions of calix[4]arene crystal structures

✍ Scribed by Ogden, Mark I.; Rohl, Andrew L.; Gale, Julian D.

Book ID
120328908
Publisher
Royal Society of Chemistry
Year
2001
Tongue
English
Weight
157 KB
Volume
17
Category
Article
ISSN
1359-7345

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The effect of guest inclusion in the crystal structures of p-tert-butylcalix[4]arene complexes has been investigated through a combination of molecular-mechanics-based solid-state calculations and statistical analysis, with a procedure previously developed and used to study a variety of classes of o