Prediction of pKa using DFT: the nicotianamine polyacid...

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Journal of Chemical Theory and Computation 2016 / 10

Prediction of pKa using DFT: the nicotianamine polyacid example

Giard, Aude, Filhol, Jean-Sébastien, Jolibois, Franck, Cavelier, Florine, Berthomieu, Dorothée
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00404
Date:
October, 2016
File:
PDF, 601 KB
english, 2016
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