10.14469/HPC/7837
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, Reactant, 1,2 with retention "forbidden", RHF, Def2-SVP, water, G = -522.802526
Imperial College London
2021
2021-01-26 19:00:56.932036
2021-04-08 13:02:34.199883
https://data.hpc.imperial.ac.uk/resolve/?ore=7837
https://data.hpc.imperial.ac.uk/resolve/?doi=7837&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=7837&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=7837&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=7837&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=7837&file=5
10.14469/hpc/333
-522.802526
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
Creative Commons: Public Domain Dedication 1.0
Results