10.14469/HPC/6035
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
C18 B3LYP+DG3+BJ/6-311G(d), Kekule mode = +669 cm-1
Imperial College London
2019
Results
-685.518902
InChI=1S/C18/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1
GPWDPLKISXZVIE-UHFFFAOYSA-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=6035
https://data.hpc.imperial.ac.uk/resolve/?doi=6035&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=6035&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=6035&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=6035&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=6035&file=5
10.14469/hpc/6038
Creative Commons: Public Domain Dedication 1.0
Gaussian Calculation