10.14469/HPC/7569
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
Cl3AlClCN + benzene, TS E = -2408.52423023 G = -2408.454098 IRC
Imperial College London
2020
Results
InChI=1S/C6H6.CHClN.Al.3ClH/c1-2-4-6-5-3-1;2-1-3;;;;/h1-6H;2H;;3*1H/q;+1;+2;;;/p-3
InChI=1S/C6H6.CClN.Al.3ClH/c1-2-4-6-5-3-1;2-1-3;;;;/h1-6H;;;3*1H/q;;+3;;;/p-3
ZIISDEJLCVJQOT-UHFFFAOYSA-K
AIKJTNMNHBDRRF-UHFFFAOYSA-K
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2020
https://data.hpc.imperial.ac.uk/resolve/?ore=7569
https://data.hpc.imperial.ac.uk/resolve/?doi=7569&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=7569&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=7569&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=7569&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=7569&file=5
10.14469/hpc/7584
Creative Commons Zero v1.0 Universal
Gaussian Calculation