Acidity constant (pKa) calculation of large solvated dye...

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ChemPhysChem 2016 / 08

Acidity constant (pKa) calculation of large solvated dye molecules: evaluation of two advanced molecular dynamics methods

De Meyer, Thierry, Ensing, Bernd, Rogge, Sven M. J., De Clerck, Karen, Meijer, Evert Jan, Van Speybroeck, Veronique
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Language:
english
Journal:
ChemPhysChem
DOI:
10.1002/cphc.201600734
Date:
August, 2016
File:
PDF, 8.62 MB
english, 2016
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