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Excitation energy calculation of conjugated hydrocarbons: a new Pariser-Parr-Pople model parameterization approaching

Dawei Zhang1, Zexing Qu, Chungen Liu

  • 1Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry of the Ministry of Education, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China.

The Journal of Chemical Physics
|January 19, 2011
PubMed

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