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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural

Florent Di Meo1, Imene Bayach2, Patrick Trouillas3,4

  • 1Division of Theoretical Chemistry, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-58183, Linköping, Sweden. dimeo.florent@gmail.com.

Journal of Molecular Modeling
|October 27, 2015
PubMed

Keywords:
DFT-DNatural polyphenolsNon-covalent interactions

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