Accepted Manuscript Silicon doping on nanotubular fullereneD 5 h -C 90 from first principles Hongcun Bai, Ping Xue, Jia-Yuan Tao, Wen-Xin Ji, Zhi-Min Han, Yujia Ma, Yongqiang Ji PII: S2210-271X(15)00304-7 DOI: http://dx.doi.org/10.1016/j.comptc.2015.07.017 Reference: COMPTC 1885 To appear in: Computational & Theoretical Chemistry Received Date: 20 May 2015 Revised Date: 11 July 2015 Accepted Date: 12 July 2015 Please cite this article as: H. Bai, P. Xue, J-Y. Tao, W-X. Ji, Z-M. Han, Y. Ma, Y. Ji, Silicon doping on nanotubular fullereneD 5 h -C 90 from first principles, Computational & Theoretical Chemistry (2015), doi: http://dx.doi.org/ 10.1016/j.comptc.2015.07.017 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.