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Paper

Accuracy of the microsolvation–continuum approach in computing the pKa and the free energies of formation of phosphate species in aqueous solution

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Corresponding authors
a
Department of Chemistry, Christopher Ingold Laboratories, University College London, 20 Gordon Street, London, UK
E-mail: d.tommaso@ucl.ac.uk, n.h.deleeuw@ucl.ac.uk
Phys. Chem. Chem. Phys., 2010,12, 13804-13815

DOI: 10.1039/C0CP00175A
Received 09 Apr 2010, Accepted 11 Aug 2010
First published online 23 Sep 2010
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