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Structure, Conformational Equilibrium, and Proton Affinity of Calix[4]arene by Density Functional Theory

✍ Scribed by Bernardino, R. J.; Cabral, B. J. Costa


Book ID
111890772
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
559 KB
Volume
103
Category
Article
ISSN
1089-5639

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Density functional theory study of calix
✍ Xiaoyan Zheng; Xueye Wang; Shanfeng Yi; Nuanqing Wang; Yueming Peng 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 473 KB

## Abstract Theoretical studies of 1,3‐alternate‐25,27‐bis(1‐methoxyethyl)calix[4]arene‐azacrown‐5 (**L~1~**), 1,3‐alternate‐25,27‐bis(1‐methoxyethyl)calix[4]arene‐__N__‐phenyl‐azacrown‐5 (**L~2~**), and the corresponding complexes M^+^/ **L** of **L~1~** and **L~2~** with the alkali‐metal cations: