Replication Data of Kästner group for: "Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2-Type Mechanism" - Dataset - B2FIND

Dataset

Replication Data of Kästner group for: "Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2-Type Mechanism"

DOI

In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format.

Identifier
DOI	https://doi.org/10.18419/darus-4048
Related Identifier	IsCitedBy https://doi.org/10.1021/acs.organomet.3c00472
Metadata Access	https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-4048

Provenance
Creator	Gugeler, Katrin ; Kästner, Johannes
Publisher	DaRUS
Contributor	Kästner, Johannes
Publication Year	2024
Funding Reference	DFG 358283783 - SFB 1333
Rights	CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess	true
Contact	Kästner, Johannes (University of Stuttgart, Institute for Theoretical Chemistry)

Representation
Resource Type	simulation data; Dataset
Format	application/x-compressed-tar
Size	35716
Version	1.0
Discipline	Chemistry; Natural Sciences