Gaussian Job Archive for C72H32F36N12
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
History
References
- http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf
- http://www.imperial.ac.uk/ict/services/teachingandresearchservices/highperformancecomputing
- http://dx.doi.org/10042/23324
- http://www.chemspider.com/Search.aspx?q=InChIKey=TWBCMMYMKNXLEQ-OBVBYXAISA-N
- http://www.ncbi.nlm.nih.gov/pccompound?db=pccompound&term=InChIKey=TWBCMMYMKNXLEQ-OBVBYXAISA-N
- http://www.ch.ic.ac.uk/rzepa/data-descriptors/
Usage metrics
Categories
Keywords
InChI=1S/C72H32F36N12/c73-61(74,75)49-25-1-2-26(109-25)50(62(76,77)78)28-5-6-30(111-28)52(64(82,83)84)32-9-10-34(113-32)54(66(88,89)90)36-13-14-38(115-36)56(68(94,95)96)40-17-18-42(117-40)58(70(100,101)102)44-21-22-46(119-44)60(72(106,107)108)48-24-23-47(InChIKey=TWBCMMYMKNXLEQ-OBVBYXAISA-Nc12ccc([C](c3ccc([C](c4ccc([C](c5ccc([C](c6ccc([C](c7ccc([C](c8ccc([C](c9ccc([C](c%10ccc([C](c%11ccc([C](c%12ccc([C](c%13ccc([C]1C(F)(F)F)[nH]%13)C(F)(F)F)[nH]%12)C(F)(F)F)[nH]%11)C(F)(F)F)n%10)C(F)(F)F)[nH]9)C(F)(F)F)n8)C(F)(F)F)[nH]7)C(F)(F)F)n6)C(F)(F)C72H32F36N12optB97D/6-311G(d,p)
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