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Theoretical studies on the substituted fullerene C60−x−yBxNy(x+y=2)

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


Book ID
114143057
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
90 KB
Volume
452
Category
Article
ISSN
0166-1280

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## Abstract With the aim of recognizing the steric effects on the silylenic H~2~C~2~Si structures, ab initio and DFT calculations are carried out on 24 structures of X~2~C~2~Si (where X is hydrogen (H), methyl (Me), isopropyl (__i__‐pro), and __tert__‐butyl (__tert__‐Bu)). These species are at eith