10.14469/HPC/7611
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Imperial College London
Imperial College Research Computing Service
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Gaussian Calculation
PhI-CC + CC-IPh, 1,1-TS, Def2-SVPD Cs symmetry, ΔG = 19.9 kcal/mol.
Imperial College London
2020
2020-12-06 07:08:37.097316
2021-04-08 12:47:05.149215
https://data.hpc.imperial.ac.uk/resolve/?ore=7611
https://data.hpc.imperial.ac.uk/resolve/?doi=7611&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=7611&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=7611&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=7611&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=7611&file=5
10.14469/hpc/7616
-1210.027145
InChI=1S/2C8H6I/c2*1-2-9-8-6-4-3-5-7-8/h2*3-7,9H
InChI=1S/2C6H5.C4I2/c2*1-2-4-6-5-3-1;1-4(6)2-3-5/h2*1-5H;
YBQYEJWAWZOPBL-UHFFFAOYSA-N
GZJIHWDQOYLHES-UHFFFAOYSA-N
Creative Commons: Public Domain Dedication 1.0
Results