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A simple method for the exploration of the conformational space and for the estimation of rotational barriers in calix[4]arene systems

✍ Scribed by Iris Thondorf; Jörg Brenn


Book ID
114142201
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
685 KB
Volume
398-399
Category
Article
ISSN
0166-1280

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