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Erratum to: J Mol Model
DOI 10.1007/s00894-010-0865-7
The original version of this article unfortunately contained a mistake. The fifth to thirteenth line below Equation 11 at page 6 should be:
For the intermolecular distance 3.5 Å, the rotation angle 0 and lateral slide 1.5 Å (this is the structure similar to the crystal structure of the phthalocyanine) the charge-transfer integrals calculated with B3LYP and CAMB3LYP functional are -0.046 eV and -0.053 eV respectively. The charge carrier mobility values calculated from Eq. 11 for this two charge-transfer integrals are 0.32 cm2 /Vs and 0.43 cm2 /Vs.
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The online version of the original article can be found at http://dx.doi.org/10.1007/s00894-010-0865-7.
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Mikołajczyk, M.M., Zaleśny, R., Czyżnikowska, Ż. et al. Erratum to: Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes. J Mol Model 17, 3025 (2011). https://doi.org/10.1007/s00894-011-1008-5
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DOI: https://doi.org/10.1007/s00894-011-1008-5