SI-multiscale-analysis-enantioselectivity.pdf from Multiscale analysis of enantioselectivity in enzyme-catalysed ‘lethal synthesis’ using projector-based embedding
Xinglong Zhang
Simon J. Bennie
Marc W. van der Kamp
David R. Glowacki
Frederick R. Manby
Adrian J. Mulholland
10.6084/m9.figshare.5830119.v1
https://rs.figshare.com/articles/journal_contribution/SI-multiscale-analysis-enantioselectivity_pdf_from_Multiscale_analysis_of_enantioselectivity_in_enzyme-catalysed_lethal_synthesis_using_projector-based_embedding/5830119
The Supporting Information includes MOLPRO input files required to generate all of the data reported in this paper.
2018-01-27 12:25:33
multiscale
coupled cluster
embedding