10.14469/HPC/5915
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
Bromoallene, Def2-SVPD 2AgOAc complex C-O formation, acetic acid solvent (S) G=-3633.228822 IRC
Imperial College London
2019
2019-06-25 16:52:13.679091
2019-10-14 13:38:48.733008
https://data.hpc.imperial.ac.uk/resolve/?ore=5915
https://data.hpc.imperial.ac.uk/resolve/?doi=5915&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=5915&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=5915&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=5915&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=5915&file=5
10.14469/hpc/5922
InChI=1S/C6H9O.2C2H4O2.2Ag.BrH/c1-4-5-6(2)7-3;2*1-2(3)4;;;/h1,5-6H,2-3H3;2*1H3,(H,3,4);;;1H/q;;;2*+1;/p-2/t6-;;;;;/m0...../s1
InChI=1S/C6H9O.2C2H4O2.2Ag.BrH/c1-4-5-6(2)7-3;2*1-2(3)4;;;/h1,5-6H,2-3H3;2*1H3,(H,3,4);;;1H/q;;;+1;+2;/p-3/t6-;;;;;/m0...../s1
IUDCSFTWOASIAR-WVSASELKSA-K
CZCZQNLVSXPFSC-WVSASELKSA-L
Creative Commons: Public Domain Dedication 1.0
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