10.14469/HPC/7833
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 Calculation
Ph-Stevens, 1,2 with inversion "allowed" UHF TS for C-N bond formation G = -522.799570
Imperial College London
2021
2021-01-26 08:34:32.525116
2021-04-08 13:02:10.050887
https://data.hpc.imperial.ac.uk/resolve/?ore=7833
https://data.hpc.imperial.ac.uk/resolve/?doi=7833&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=7833&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=7833&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=7833&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=7833&file=5
10.14469/hpc/333
-522.799570
InChI=1S/C7H7.C5H12N/c1-7-5-3-2-4-6-7;1-5(2)6(3)4/h2-6H,1H2;1-4H3
InChI=1S/C12H19N/c1-11(2)13(3,4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3
AGIREAUBRBDKSA-UHFFFAOYSA-N
DEBJOBSQZMRNET-UHFFFAOYSA-N
Creative Commons: Public Domain Dedication 1.0
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