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Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment

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Description scientific article published on 02 January 2019
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author: Thomas W Keal  Andrew J Logsdail  Alexey A. Sokol  Pierre Fayon  Richard Catlow  Paul Sherwood  Matthew R Farrow 

Publication date January 2, 2019
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