10.14469/HPC/7381
Phillips, Nicholas
Nicholas
Phillips
https://orcid.org/0000-0002-2128-0983
Imperial College London
Coordinates file for DFT calculated structures
Imperial College London
2020
Results
InChI=1S/C27H36N2.C20H33BN.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-13(2)15-10-9-11-16(14(3)4)17(15)22-18(21)19(5,6)12-20(22,7)8;/h9-16,18-21H,1-8H3;9-11,13-14H,12,21H2,1-8H3;
XFLIKLKQWJQLGM-UHFFFAOYSA-N
Imperial College London
Imperial College Research Computing Service
Phillips, Nicholas
Nicholas
Phillips
https://orcid.org/0000-0002-2128-0983
Imperial College London
2020
https://data.hpc.imperial.ac.uk/resolve/?ore=7381
https://data.hpc.imperial.ac.uk/resolve/?doi=7381&file=1
10.14469/hpc/7344
Creative Commons Zero v1.0 Universal
Coordinate (.xyz) file for the DFT calculated structures of compounds: 3a-c, 4, A, S5-S8