Teaching FAIR in Computational Chemistry: Managing and publishing data using the twin tools of Compute Portals and Repositories: Illustration of the F of FAIR


Finding PropertiesSearch string‡
Gibbs Energysubjects.subjectScheme:Gibbs_Energy+AND+subjects.subject:\-1712.7018*
Moleculesubjects.subjectScheme:inchikey
+AND+subjects.subject:SWHHBFDHELWCBW-NAFMCOLYSA-N
Gibbs+Moleculesubjects.subjectScheme:Gibbs_Energy+AND+subjects.subject:\-1712.7018*
+AND+subjects.subject:SWHHBFDHELWCBW-NAFMCOLYSA-N
Gibbs+Molecule
+Researcher		subjects.subjectScheme:Gibbs_Energy+AND+subjects.subject:\-1712.7018*
+AND+subjects.subjectScheme:inchikey+AND+
subjects.subject:SWHHBFDHELWCBW-NAFMCOLYSA-N+AND+
contributors.nameIdentifiers.nameIdentifier:*0000-0001-9787-8853
Molecule-Researchersubjects.subjectScheme:inchikey+AND+
subjects.subject:SWHHBFDHELWCBW-NAFMCOLYSA-N+NOT+
contributors.nameIdentifiers.nameIdentifier:*0000-0001-9787-8853
Finding MediaSearch string‡
Input+Researchermedia.media_type:chemical/x-gaussian-input*+AND+contributors.nameIdentifiers.nameIdentifier:*0000-0001-9787-8853
Output+Researchermedia.media_type:chemical/x-gaussian-log*+AND+contributors.nameIdentifiers.nameIdentifier:*0000-0001-9787-8853
Checkpoint+Researchermedia.media_type:chemical/x-gaussian-checkpoint*+AND+contributors.nameIdentifiers.nameIdentifier:*0000-0001-9787-8853
All three media types!media.media_type:chemical/x-gaussian-checkpoint*+AND+media.media_type:chemical/x-gaussian-log*+AND+media.media_type:chemical/x-gaussian-input*
NMR+Checkpoint†(media.media_type:chemical/x-gaussian-checkpoint*)+AND+(media.media_type:chemical/x-mnova*+OR+media.media_type:chemical/x-jeol-jdf+OR+media.media_type:chemical/x-jcamp-dx+OR+(chemical/x-mnpub*+AND+media.media_type:application/zip))
‡Search prefix: https://commons.datacite.org/?query= † See H. S. Rzepa, A. N. Davies, "Open publishing FAIR spectra for and by students", Spectros. Eu., 2022, DOI: 10.1255/sew.2022.a10

This table has DOI: 10.14469/hpc/11109