10.14469/HPC/8018
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
Deltamethrin, S,R,R G = -6278.769188 TD(nstates=100)
Imperial College London
2021
2021-03-23 08:09:23.694702
2021-04-08 13:12:25.615681
https://data.hpc.imperial.ac.uk/resolve/?ore=8018
https://data.hpc.imperial.ac.uk/resolve/?doi=8018&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=8018&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=8018&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=8018&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=8018&file=5
10.14469/hpc/8020
InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
OWZREIFADZCYQD-NSHGMRRFSA-N
Creative Commons: Public Domain Dedication 1.0
Results