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Substituent Effects on the Structural Features and Nonlinear Optical Properties of the Organic Alkalide Li + (calix[4]pyrrole)Li −

✍ Scribed by Sun, Wei-Ming; Wu, Di; Li, Ying; Li, Zhi-Ru

Book ID
118229444
Publisher
John Wiley and Sons
Year
2013
Tongue
English
Weight
675 KB
Volume
14
Category
Article
ISSN
1439-4235

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✍ Guang Tao Yu; Wei Chen; Feng Long Gu; Yuriko Aoki 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 476 KB 👁 1 views

## Abstract The static (hyper)polarizabilities of the dimer and trimer with diffuse excess electrons, [Li^+^[calix[4]pyrrole]Li^−^]~n~, are firstly investigated by the DFT(B3LYP) method in detail. For the dimer and trimer, a Li atom inside each calix[4]pyrrole unit is ionized to form a diffuse exce