Ab initio characterization of size dependence of electronic spectra for linear anionic carbon clusters Cn− (n = 4–17)
Version of Record online: 4 OCT 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 33, Issue 1, pages 93–102, 5 January 2012
How to Cite
Guo, X.-G., Zhang, J.-L. and Zhao, Y. (2012), Ab initio characterization of size dependence of electronic spectra for linear anionic carbon clusters Cn− (n = 4–17). J. Comput. Chem., 33: 93–102. doi: 10.1002/jcc.21948
- Issue online: 4 NOV 2011
- Version of Record online: 4 OCT 2011
- Manuscript Accepted: 23 AUG 2011
- Manuscript Revised: 19 AUG 2011
- Manuscript Received: 17 FEB 2011
- National Science Foundation of China. Grant Number: 21003036
- Science Foundation of Henan University. Grant Number: SBGJ090507
Additional Supporting Information may be found in the online version of this article.
|JCC_21948_sm_SuppTab1.doc||90K||Supplementary Table 1. Vertical Excitation Energies (ΔE, eV) of C–2n (n=2–8) Calculated with the other Active Spaces.|
|JCC_21948_sm_SuppTab2.doc||116K||Supplementary Table 2. Vertical Excitation Energies (Δ, eV) of C–2n+1 (n=2–8) Calculated with the other Active Spaces|
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