10.14469/HPC/9257
Alexandre Dumon
0000-0002-0222-2606
Imperial College London
Imperial College London
Imperial College Research Computing Service
Alexandre Dumon
0000-0002-0222-2606
Imperial College London
Gaussian 16 (C01) calculation
2-2-3-3-4-4-5-5-octafluoropentan-1-ol-B3LYP/aug-cc-pvdz/Conformer4
Imperial College London
2021
2021-10-08 13:35:11.105337
2022-04-03 09:01:56.547799
https://data.hpc.imperial.ac.uk/resolve/?ore=9257
https://data.hpc.imperial.ac.uk/resolve/?doi=9257&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=9257&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=9257&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=9257&file=4
10.14469/hpc/9242
-1066.967328
InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
JUGSKHLZINSXPQ-UHFFFAOYSA-N
Creative Commons: Public Domain Dedication 1.0
Results