10.14469/HPC/6292
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
tetrodotoxin, neutral form 3 iso G=-1195.339160 optrot = -30.36
Imperial College London
2019
Results
InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
CFMYXEVWODSLAX-QOZOJKKESA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2019
https://data.hpc.imperial.ac.uk/resolve/?ore=6292
https://data.hpc.imperial.ac.uk/resolve/?doi=6292&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=6292&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=6292&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=6292&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=6292&file=5
10.14469/hpc/6278
Creative Commons: Public Domain Dedication 1.0
Gaussian Calculation