10.14469/HPC/9884
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Imperial College London
Imperial College Research Computing Service
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Gaussian 16 (C01) calculation
CF3F2I-CC 1,2-dimerisation, Def2-TZVPPD, G = -1822.241919 DG = 11.1
Imperial College London
2021
2021-11-02 07:52:26.609119
2022-03-08 14:13:51.324093
https://data.hpc.imperial.ac.uk/resolve/?ore=9884
https://data.hpc.imperial.ac.uk/resolve/?doi=9884&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=9884&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=9884&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=9884&file=4
10.14469/hpc/10193
-1822.241919
InChI=1S/2C3HF5I/c2*1-2-9(7,8)3(4,5)6/h2*9H
InChI=1S/2C2.2CF3.2FI.2F/c2*1-2;2*2-1(3)4;2*1-2;;
FZKAZWNJRATMRG-UHFFFAOYSA-N
BCCYFQUQRIFMET-UHFFFAOYSA-N
Creative Commons: Public Domain Dedication 1.0
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