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Philipp Pracht
ORCID
Publication Activity (10 Years)
Years Active: 2017-2018
Publications (10 Years): 2
Top Topics
Prediction Accuracy
Knowledge Retrieval
Computationally Expensive
High Accuracy
Top Venues
J. Comput. Chem.
J. Comput. Aided Mol. Des.
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Publications
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Philipp Pracht
,
Rainer Wilcken
,
Anikó Udvarhelyi
,
Stephane Rodde
,
Stefan Grimme
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge.
J. Comput. Aided Mol. Des.
32 (10) (2018)
Philipp Pracht
,
Christoph Alexander Bauer
,
Stefan Grimme
Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites.
J. Comput. Chem.
38 (30) (2017)