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SI-multiscale-analysis-enantioselectivity.pdf from Multiscale analysis of enantioselectivity in enzyme-catalysed ‘lethal synthesis’ using projector-based embedding

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journal contribution
posted on 2018-01-27, 12:25 authored by Xinglong Zhang, Simon J. Bennie, Marc W. van der Kamp, David R. Glowacki, Frederick R. Manby, Adrian J. Mulholland
The Supporting Information includes MOLPRO input files required to generate all of the data reported in this paper.

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    Royal Society Open Science

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    multiscalecoupled clusterembedding

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