Bulk solvation effects are accounted for with the conductor-like polarizable continuum model (PCM). DFTB3-D3(BJ)H/PCM single-point energy-only and geometry optimization QM corrections are carried out ...

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Department of Experimental Physics, Wrocław University of Science and Technology, 27 Wybrzeże Wyspiańskiego, Wrocław 50-370, Poland ...

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