10.14469/HPC/4619
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
B-O-B system. TS4' using MeNH2 as carrier instead of MeCO2H, B-O cleavage RP, lower than -1082.976160 TS, cartesian -1082.979733 CF3CH2O-B -1907.988246
Imperial College London
2018
2018-08-15 06:36:46.396551
2019-10-14 13:18:00.126108
https://data.hpc.imperial.ac.uk/resolve/?ore=4619
https://data.hpc.imperial.ac.uk/resolve/?doi=4619&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=4619&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=4619&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=4619&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=4619&file=5
10.14469/hpc/4020
-1907.988246
InChI=1S/C9H15B2F6NO7.C2H4O2.CH5N/c1-6(18-3)23-10(21-4-8(12,13)14)25-11(20,24-7(2)19)22-5-9(15,16)17;1-2(3)4;1-2/h18,20H,4-5H2,1-3H3;1H3,(H,3,4);2H2,1H3
RCNGRFRRZUVFAB-UHFFFAOYSA-N
Creative Commons: Public Domain Dedication 1.0
Results