Charge distribution in graphene from quantum calculation*

Project supported by the National Natural Science Foundation of China (Grant Nos. 11764027 and 11364025) and the Chinese Scholarship Council (Grant No. 201408625041).

Liang Ze-Fen1, 2, Ma Sheng-Ling1, Xue Hong-Tao1, Ding Fan1, Liu Jingbo Louise3, Tang Fu-Ling1, 3, †
       

(color online) Comparison between charges from MOPAC and ONETEP for spiro-OMeTAD (C81N4O8H68).