10.14469/HPC/10087
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
C 14 H 24 Br 1 Cl 2 O 3 1
Imperial College London
2022
Results
InChI=1S/C13H20BrCl2O2.CH4O/c1-7-5-11-10(15)4-3-9(14)6-12(18-11)13(16)8(2)17-7;1-2/h3,7-13H,4-6H2,1-2H3;2H,1H3/t7-,8+,9-,10-,11-,12-,13+;/m1./s1
OBTLKRJTTHYQCM-BBJWMDFFSA-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=10087
https://data.hpc.imperial.ac.uk/resolve/?doi=10087&file=1
10.14469/hpc/10062
Creative Commons Zero v1.0 Universal
6-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD, reactant