High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge
Crossref DOI link: https://doi.org/10.1007/s10822-018-0145-7
Published Online: 2018-08-23
Published Print: 2018-10
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Pracht, Philipp
Wilcken, Rainer
Udvarhelyi, Anikó
Rodde, Stephane
Grimme, Stefan
Text and Data Mining valid from 2018-08-23
Article History
Received: 30 May 2018
Accepted: 2 August 2018
First Online: 23 August 2018