Most stable structures of polyhydroxylated endohedral metallofullerene Gd@C-82(OH)(x) (x=1-24) from density function theory
文献类型：期刊论文
| 作者 | Zhang, JF; Li, FY; Miao, XY; Zhao, JJ; Jing, L; Yang, GH; Jia, XF |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2010 |
| 卷号 | 492期号:1-3页码:#REF! |
| 通讯作者 | Zhang, JF (reprint author), Shanxi Normal Univ, Sch Phys & Informat Engn, Linfen 041004, Peoples R China. |
| 英文摘要 | The most stable structures of polyhydroxylated metallofullerene Gd@C-82(OH)(x) (x = 1-24) were investigated using density functional theory calculations. After examining a number of structural isomers, some rules about the locations of hydroxyl groups on the endohedral fullerene cage of Gd@C-82 were proposed. The hydroxylated carbon atoms tend to enclose two opposite six-membered rings for the most stable Gd@C-82(OH)(12) and seven six-membered rings for the most stable Gd@C-82(OH)(24), respectively. The hydroxyl groups prefer to locate on para-position of the six-membered ring or meta-position of the five-membered ring. (C) 2010 Elsevier B.V. All rights reserved. |
| 学科主题 | Chemistry; Physics |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 收录类别 | SCI |
| WOS记录号 | WOS:000277717300014 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/225909]  |
| 专题 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Zhang, JF,Li, FY,Miao, XY,et al. Most stable structures of polyhydroxylated endohedral metallofullerene Gd@C-82(OH)(x) (x=1-24) from density function theory[J]. CHEMICAL PHYSICS LETTERS,2010,492(1-3):#REF!. |
| APA | Zhang, JF.,Li, FY.,Miao, XY.,Zhao, JJ.,Jing, L.,...&Jia, XF.(2010).Most stable structures of polyhydroxylated endohedral metallofullerene Gd@C-82(OH)(x) (x=1-24) from density function theory.CHEMICAL PHYSICS LETTERS,492(1-3),#REF!. |
| MLA | Zhang, JF,et al."Most stable structures of polyhydroxylated endohedral metallofullerene Gd@C-82(OH)(x) (x=1-24) from density function theory".CHEMICAL PHYSICS LETTERS 492.1-3(2010):#REF!. |
入库方式： OAI收割
来源：高能物理研究所
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