Affiliation:
1. Beringstraße, Bonn 53115, Germany
Abstract
Artificial molecular muscles are of interest in the nanosciences but their theoretical treatment is demanding. We present a standardized protocol on how to obtain reliable structures and free energies applying GFN quantum chemistry methods.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis
Cited by
5 articles.
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