Shuttling Process in [2]Rotaxanes. Modeling by Molecular Dynamics and Free Energy Perturbation Simulations
Author:
Affiliation:
1. Department of Chemistry, Faculty of Sciences, Universitat Autònoma de Barcelona, 08193 Bellaterra, Spain
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp034658l
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