An Open-Source, Python-Based Redevelopment of the ChemShell...

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Journal of Chemical Theory and Computation 2018 / 12

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

Lu, You, Farrow, Matthew R., Fayon, Pierre, Logsdail, Andrew J., Sokol, Alexey A., Catlow, C. Richard A., Sherwood, Paul, Keal, Thomas W
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b01036
Date:
December, 2018
File:
PDF, 1.46 MB
english, 2018
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