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. 2015 Jun 11;5:11032. doi: 10.1038/srep11032

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Copyright © 2015, Macmillan Publishers Limited

This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

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Simple simulation using DFT for the calculation of molecular orbital (MO) levels and density of states (DOS) of pristine GOQD, PVK and GOQD-PVK complex. The DOS of pristine GOQD (blue line), pristine PVK (red line) and GOQD-PVK (green line) are shown. The binding energy of each MO is indicated with vertical bars. The insert image shows the most stable formation of pristine GOQD, PVK and GOQD-PVK with this calculation.