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author:

Jia Gui-Xiao (Jia Gui-Xiao.) [1] | Chen Lin-Gang (Chen Lin-Gang.) [2] | Li Jun-Qian (Li Jun-Qian.) [3] | Li Yi (Li Yi.) [4] (Scholars:李奕) | Chen Yong (Chen Yong.) [5] (Scholars:陈勇)

Indexed by:

SCIE PKU CSCD

Abstract:

The epoxidation of different bonds with the same bond curvature in one nanotube including armchair, zigzag and chiral tubes was studied. The calculated results showed that for the adducts with opened C-O-C configuration, the magnitude of the binding energies was related with their corresponding bonding characteristics in HOMO, and the larger binding energies were attributed to stronger orbital interaction between one O atom and the nanotube; whereas for the adducts with 3MR structures, the binding energies were related with the changes of C-C bond length and independent of the frontier orbital interaction before and after epoxidation.

Keyword:

bond curvature carbon nanotube epoxidation orbital interaction

Community:

  • [ 1 ] Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China
  • [ 2 ] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 李俊钱

    [Li Jun-Qian]Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China

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Source :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2007

Issue: 11

Volume: 26

Page: 1308-1314

0 . 6 9 6

JCR@2007

5 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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