10.14469/HPC/6048
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
C18 PBEQIDH/Def2-TZVPP Kekule mode = +3447 cm-1
Imperial College London
2019
Results
-684.549030
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=6048
https://data.hpc.imperial.ac.uk/resolve/?doi=6048&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=6048&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=6048&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=6048&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=6048&file=5
10.14469/hpc/6038
Creative Commons: Public Domain Dedication 1.0
Gaussian Calculation