C 10 H 16

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C 10 H 16

dc.contributor Henry S Rzepa
dc.date.accessioned 2014-06-01T07:41:57Z
dc.date.available 2014-06-01T07:41:57Z
dc.date.issued 2014-06-01
dc.identifier http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf
dc.identifier http://orcid.org/0000-0002-8635-8390
dc.identifier InChI=1S/C10H16/c1-2-8-6-9-3-4-10(8)5-7(1)9/h7-10H,1-6H2/t7-,8-,9-,10-/m1/s1
dc.identifier InChIKey=AEVSQVUUXPSWPL-ZYUZMQFOSA-N
dc.identifier.uri http://hdl.handle.net/10042/30609
dc.identifier.uri http://dx.doi.org/10.14469/ch/24571
dc.description # polar(optrot) CPHF=RdFreq integral=(acc2e=12,grid=ultrafine) MN12L t
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 10 H 16
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.766Kb chemical/x-gaussian-input View/Open
logfile.log 52.21Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 473.4Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 3.441Kb chemical/x-cml View/Open
inchi.txt 114bytes chemical/x-inchi View/Open
smiles.txt 37bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
description.txt 72bytes Text file View/Open
archive-cml-1.xml 5.869Kb chemical/x-cml View/Open

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