10.14469/HPC/4609
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
The White City TS1 with extra amine -649.702436, amine as PT -649.702307
Imperial College London
2018
Results
-649.702307
InChI=1S/C3H9NO2.C2H3O2.CH6N/c1-3(5,6)4-2;1-2(3)4;1-2/h5H,4H2,1-2H3;1H3;1-2H3/t3-;;/m1../s1
InChI=1S/C3H10NO2.C2H3O2.CH5N/c1-3(5,6)4-2;1-2(3)4;1-2/h5-6H,4H2,1-2H3;1H3;2H2,1H3
XTPOKMNRLGRMTP-HWYNEVGZSA-N
AAEKKDASBMVKGP-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=4609
https://data.hpc.imperial.ac.uk/resolve/?doi=4609&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=4609&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=4609&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=4609&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=4609&file=5
10.14469/hpc/4598
Creative Commons: Public Domain Dedication 1.0
Gaussian Calculation