10.14469/HPC/4310
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
Product, TS214a, 353 b3lyp+gd3bj/6-311++G(d,p) biradical -933.520766
Imperial College London
2018
Results
InChI=1S/C16H15N3O2/c1-21-16(20)13-7-9-14(10-8-13)18-15(22-19-17)11-12-5-3-2-4-6-12/h2-11,15H,1H3/t15-/m0/s1
InChI=1S/C16H15NO2.N2/c1-19-16(18)14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13;1-2/h2-11H,12H2,1H3;
PDILFDYKSSOGJL-UHFFFAOYSA-N
PFXZHPVIRPMTRH-HNNXBMFYSA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2018
https://data.hpc.imperial.ac.uk/resolve/?ore=4310
https://data.hpc.imperial.ac.uk/resolve/?doi=4310&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=4310&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=4310&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=4310&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=4310&file=5
10.14469/hpc/4326
Creative Commons: Public Domain Dedication 1.0
Gaussian Calculation