Published in

Royal Society of Chemistry, Chemical Science, 23(13), p. 6858-6864, 2022

DOI: 10.1039/d2sc01714h

Links

Tools

Export citation

Search in Google Scholar

The (not so) simple prediction of enantioselectivity – a pipeline for high-fidelity computations

Journal article published in 2022 by Rubén Laplaza ORCID, Jan-Grimo Sobez, Matthew D. Wodrich ORCID, Markus Reiher ORCID, Clémence Corminboeuf ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

Full text: Download

Red circle
Preprint: archiving forbidden
Green circle
Postprint: archiving allowed
Upload
Green circle
Published version: archiving allowed
Upload
Policy details
Data provided by SHERPA/RoMEO

Abstract

The computation of reaction selectivity represents an appealing complementary route to experimental studies and a powerful mean to refine catalyst design strategies.