10.14469/HPC/3702
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
An Accessible Method for DFT Calculation of 11B NMR Shifts of Organoboron Compounds
Imperial College London
2018
Results
InChI=1S/C7H8.7CH4.BH3.2H3N/c1-7-5-3-2-4-6-7;;;;;;;;;;/h2-6H,1H3;7*1H4;3*1H3
AQWOZNBEUMPXIA-UHFFFAOYSA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
Batsanov, Andrei
Andrei
Batsanov
https://orcid.org/0000-0002-4912-0981
Whiting, Andrew
Andrew
Whiting
https://orcid.org/0000-0001-8937-8445
Sabatini, Marco
Marco
Sabatini
https://orcid.org/0000-0003-1902-9076
Arkhipenko, Sergey
Sergey
Arkhipenko
https://orcid.org/0000-0002-9522-0385
Sheppard, Tom
Tom
Sheppard
https://orcid.org/0000-0002-3455-1164
2018
https://data.hpc.imperial.ac.uk/resolve/?ore=3702
https://data.hpc.imperial.ac.uk/resolve/?doi=3702&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=3702&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=3702&file=3
10.1021/acs.joc.8b00859
10.14469/hpc/4041
10.14469/hpc/3768
10.14469/hpc/3900
10.14469/hpc/3703
10.14469/hpc/935
10.14469/hpc/3744
10.14469/hpc/4012
10.14469/hpc/4139
10.14469/hpc/10354
Creative Commons Zero v1.0 Universal
FAIR (Findable, Interoperable, accessible and re-usable) Data collection serving as the supporting information for the submitted article.