Replication data of Kästner group for: "Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields"

DOI

In this dataset, all simulation data are listed. That includes all geometry optimized structures as xyz-files and all input-files for the calculations as chm-files.

Identifier
DOI https://doi.org/10.18419/DARUS-3693
Related Identifier IsCitedBy https://doi.org/10.1021/acs.jpca.2c04163
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/DARUS-3693
Provenance
Creator Segreto, Nico ORCID logo; Kästner, Johannes ORCID logo
Publisher DaRUS
Contributor Kästner, Johannes; Beck, Alexander
Publication Year 2023
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 3665657856
Version 1.0
Discipline Chemistry; Natural Sciences