Non-continuum solvation using the EC-RISM method applied to predict tautomer ratios, pK a and enantiomeric excess of alkylation reactions

Doc number: O9

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Bibliographic Details
Published in:Journal of cheminformatics 2012-01, Vol.4 (Suppl 1)
Main Authors: Heil, Jochen, Frach, Roland, Kast, Stefan M
Format: Article
Language:English
Online Access:Get full text
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Summary:Doc number: O9
ISSN:1758-2946
DOI:10.1186/1758-2946-4-S1-O9