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Semi-empirical calculations on the BN substituted fullerenes C60−2x(BN)x (x=1–3) — isoelectronic equivalents of C60

✍ Scribed by Zhongfang Chen; Keqin Ma; Hongxi Zhao; Yinming Pan; Xuezhuang Zhao; Auchin Tang; Jikang Feng


Book ID
114143267
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
205 KB
Volume
466
Category
Article
ISSN
0166-1280

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✍ Ji-Min Yan; Chuan-Bao Zhu; Zhi-Jin Xu 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 477 KB

The interaction on and the rotation of C,, in akali-doped C,, solids, A,A!-,C,, (X = 1,2,3; A, A' = alkali), have been calculated with Buckingham potential model. The results show that the total interaction on C,, changes dramatically when the pure C,, solid is alkali-doped into K,C,,. The interacti