Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods
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
Verband der Chemischen Industrie
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00239
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