• Policy
    • FAQ JLUdocs
    • FAQ JLUdata
    • Publishing in JLUdocs
    • Publishing in JLUdata
    • Publishing Contract
    • English
    • Deutsch
View Item 
  •   JLUpub Home
  • JLUdata
  • Forschungsdaten
  • View Item
  •   JLUpub Home
  • JLUdata
  • Forschungsdaten
  • View Item
  • Info
    • Policy
    • FAQ JLUdocs
    • FAQ JLUdata
    • Publishing in JLUdocs
    • Publishing in JLUdata
    • Publishing Contract
  • English 
    • English
    • Deutsch
  • Login
JavaScript is disabled for your browser. Some features of this site may not work without it.

Structure Data for "Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions"

Thumbnail
Files in this item
structures.zip (129.2Kb)
Date
2022-11-11
Author
Schwan, Sebastian
Mollenhauer, Doreen
Further Contributors
Achazi, Andreas J.
Zeise, Ferdinand
Schreiner, Peter R.
Volz, Kerstin
Dehnen, Stefanie
Sanna, Simone
Metadata
Show full item record
BibTeX Export
Quotable link
http://dx.doi.org/10.22029/jlupub-7654
Abstract

Calculated structural data of monomers, dimers, trimers and tetramers of cluster materials for the publication: Sebastian Schwan, Andreas J. Achazi, Ferdinand Ziese, Peter R. Schreiner, Kerstin volz, Stefanie Dehnen, Simone Sanna, Doreen Mollenhauer, "Insights into molecular cluster materials with adamantane-like core structures by considering ... dimer interactions". The structures were pre-optimized using CREST and GFN2-xTB, followed by an optimization at the B3LYP-D3(BJ)/cc-pVDZ level of theory. The file format is xyz.

Collections
  • Forschungsdaten
Attribution-NonCommercial-NoDerivatives 4.0 International
Attribution-NonCommercial-NoDerivatives 4.0 International

Contact Us | Impressum | Privacy Policy | OAI-PMH
 

 

Browse

All of JLUpubCommunities & CollectionsOrganisational UnitDDC-ClassificationPublication TypeAuthorsBy Issue DateThis CollectionOrganisational UnitDDC-ClassificationPublication TypeAuthorsBy Issue Date

My Account

LoginRegister

Statistics

View Usage Statistics

Contact Us | Impressum | Privacy Policy | OAI-PMH