10.14469/HPC/480
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
9...HOMe X-ray conformation methanol TS Def2-TZVPPD + MeOH solvent
Imperial College London
2016
Results
InChI=1S/C13H21BrClO3.2CH4O/c1-7-5-11-10(15)4-3-9(14)6-12(18-11)13(16)8(2)17-7;2*1-2/h3,7-13,16H,4-6H2,1-2H3;2*2H,1H3/t7-,8+,9-,10-,11-,12-,13+;;/m1../s1
RXBRSEWNFXSBLU-MJVRFTIESA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2016
https://data.hpc.imperial.ac.uk/resolve/?ore=480
https://data.hpc.imperial.ac.uk/resolve/?doi=480&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=480&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=480&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=480&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=480&file=5
10.14469/hpc/1919
Creative Commons: Public Domain Dedication 1.0
Gaussian Calculation