1076 14 4996 2 26217 document 4996 AJP010 - Supporting Computational Data.zip application/zip bf80a0bf0a8dde71c036e60df830d512 MD5 13180619 2024-03-14 14:06:48 http://edata.bham.ac.uk/1076/1/AJP010%20-%20Supporting%20Computational%20Data.zip 1076 1 1 application/zip archive public cc_by_4
AJP010 - Supporting Computational Data.zip
data archive 525 disk0/00/00/10/76 2024-03-19 10:15:52 2024-03-19 10:31:23 2024-03-19 10:15:52 data_collection show Jupp Andrew a.jupp@bham.ac.uk 0000-0003-4360-5838 English Laura l.e.english@bham.ac.uk 0000-0002-9796-0168 Computational Data Supporting "Synthesis and Reactivity of the [NCCCO]– Cyanoketenate Anion" 10col_ephy cumulenes • cyanoketene • carbon monoxide • small-molecule activation • N-heterocyclic carbene Raw output files for the computational chemistry calculations performed for the investigation of the title compound. Calculations were performed using Gaussian software as available on the University of Birmingham Blue Bear HPC. 2024-03-19 published University of Birmingham https://doi.org/10.25500/edata.bham.00001076 Dataset research-data@contacts.bham.ac.uk School of Chemistry epsrc EP/W036908/1 na yes yes TRUE Post-doctoral research fellow English Laura l.e.english@bham.ac.uk Synthesis and Reactivity of the [NCCCO]– Cyanoketenate Anion pub https://doi.org/10.26434/chemrxiv-2024-qv8jh IsSupplementTo en