10.14469/HPC/10049
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
(R )-Adamantyldeuteriomethanol with 589nm, CCl4, conf 1, B3LYP+GD3BJ/Def2-QZVPP G = -505.296949
Imperial College London
2022
Results
-505.296949
InChI=1S/C11H18O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12H,1-6H2/t7-,8+,9-,10+,11-
DBUJFSXRBAWWSM-HQUNYVMJSA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2022
https://data.hpc.imperial.ac.uk/resolve/?ore=10049
https://data.hpc.imperial.ac.uk/resolve/?doi=10049&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=10049&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=10049&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=10049&file=4
10.14469/hpc/9239
Creative Commons Zero v1.0 Universal
Gaussian 16 (C01) calculation