10.14469/HPC/7308
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
Willgerodt-Kindler TS2 Full + NH3 (closed) G = -1338.106005
Imperial College London
2020
2020-07-27 14:18:14.151424
2020-08-14 12:00:37.932314
https://data.hpc.imperial.ac.uk/resolve/?ore=7308
https://data.hpc.imperial.ac.uk/resolve/?doi=7308&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=7308&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=7308&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=7308&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=7308&file=5
10.14469/hpc/333
-1338.106005
InChI=1S/C16H22N2O2S.H4N/c1-2-4-15(5-3-1)16(17-6-10-19-11-7-17)14-21(16)18-8-12-20-13-9-18;/h1-5,14H,6-13H2;1H4/t16-;/m1./s1
BFSPWCSQXQTSQT-PKLMIRHRSA-N
Creative Commons: Public Domain Dedication 1.0
Results