10.14469/HPC/4586
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
The White City TS, isomer 3, acid as PT agent with passive amine
Imperial College London
2018
Results
InChI=1S/C3H8NO.C2H3O2.CH5N.H2O/c1-3(5)4-2;1-2(3)4;1-2;/h4-5H,1-2H3;1H3;2H2,1H3;1H2
InChI=1S/C6H18N2O4/c1-5(7-3)10-15-12(13-8-4)6(2)11-14-9/h7-9H,1-4H3
JOZMIZZVXYKOLL-UHFFFAOYSA-N
QQEHGULBGANNHZ-UHFFFAOYSA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2018
https://data.hpc.imperial.ac.uk/resolve/?ore=4586
https://data.hpc.imperial.ac.uk/resolve/?doi=4586&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=4586&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=4586&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=4586&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=4586&file=5
10.14469/hpc/4598
Creative Commons: Public Domain Dedication 1.0
Gaussian Calculation