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Use of theoretical descriptors to characterize cation–π binding sites in (macro)molecules

✍ Scribed by Johan Wouters


Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
268 KB
Volume
21
Category
Article
ISSN
0192-8651

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Competition between π and Non-π Cation-B
✍ Fung Ming Siu; Ngai Ling Ma; Chun Wai Tsang 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 240 KB

## Abstract To understand the cation–π interaction in aromatic amino acids and peptides, the binding of M^+^ (where M^+^ = Li^+^, Na^+^, and K^+^) to phenylalanine (Phe) is studied at the best level of density functional theory reported so far. The different modes of M^+^ binding show the same orde