10.14469/HPC/4291
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
TS114, wB97XD/6-311++G(d,p) -933.041544
Imperial College London
2018
2018-05-25 20:52:51.525431
2019-10-14 13:12:07.427010
https://data.hpc.imperial.ac.uk/resolve/?ore=4291
https://data.hpc.imperial.ac.uk/resolve/?doi=4291&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=4291&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=4291&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=4291&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=4291&file=5
10.14469/hpc/4325
InChI=1S/C8H7N3O2.C8H8/c1-13-8(12)6-2-4-7(5-3-6)10-11-9;1-2-8-6-4-3-5-7-8/h2-5H,1H3;2-7H,1H2
InChI=1S/C16H15N3O2/c1-21-16(20)13-7-9-14(10-8-13)19-11-15(17-18-19)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m1/s1
JWNDNJKXAFGODO-UHFFFAOYSA-N
GXIXAUOQWOUTQH-OAHLLOKOSA-N
Creative Commons: Public Domain Dedication 1.0
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