10.14469/HPC/8039
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
Dimethyl ketal hydrolysis using water, 8-ring Enol intermediate G = -576.686008
Imperial College London
2021
Results
-576.686008
InChI=1S/C4H8O.CH4O.3H2O/c1-4(2)5-3;1-2;;;/h1H2,2-3H3;2H,1H3;3*1H2
InChI=1S/C5H18O5/c1-6-3-4-11-7-14-9-13-5(3)16-8(2)17(16)10(12-4)15-9/h4-5,7,9-10H,1-2H3/t4-,5+/m1/s1
IBZODKVBBUPRQK-UHNVWZDZSA-N
PZEOJJMNZWQLKW-UHFFFAOYSA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2021
https://data.hpc.imperial.ac.uk/resolve/?ore=8039
https://data.hpc.imperial.ac.uk/resolve/?doi=8039&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=8039&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=8039&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=8039&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=8039&file=5
10.14469/hpc/8043
Creative Commons Zero v1.0 Universal
Gaussian Calculation