Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites
Author:
Affiliation:
1. Mulliken Center for Theoretical Chemistry, Institute of Physical and Theoretical Chemistry, University of Bonn, Beringstr. 4; 53115 Bonn Germany
Funder
Deutsche Forschungsgemeinschaft (DFG)
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
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