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Simulations of p-tert-Butylcalix[4]arene with Multiple Occupancies of Small Guest Molecules

✍ Scribed by Saman Alavi; John A. Ripmeester


Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
401 KB
Volume
14
Category
Article
ISSN
0947-6539

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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