C 37 H 46 Cl 1 Mn 1 N 2 O 3

DSpace/Manakin Repository

dc.contributor	Henry S Rzepa
dc.date.accessioned	2013-10-28T13:07:20Z
dc.date.available	2013-10-28T13:07:20Z
dc.date.issued	2013-10-28
dc.identifier	InChI=1/C28H40N2O2.C9H11O.ClH.Mn/c1-27(2,3)21-13-9-11-19(25(21)31)17-29-23-15-7-8-16-24(23)30-18-20-12-10-14-22(26(20)32)28(4,5)6;1-8(10)7-9-5-3-2-4-6-9;;/h9-14,23-24,31-32H,7-8,15-18H2,1-6H3;2-6,8H,7H2,1H3;1H;/q-2;-1;;+5/p-2/t23-,24-;8-;;/m10../s1
dc.identifier	InChIKey=BMNSNHPEKVOONU-GOCAIPSWSA-L
dc.identifier.uri	http://hdl.handle.net/10042/25945
dc.identifier.uri	http://dx.doi.org/10.14469/ch/19906
dc.description	3rd year
dc.description	Jacobsen trans methyl styrene 1
dc.publisher	Imperial College London
dc.rights	Henry S Rzepa
dc.title	C 37 H 46 Cl 1 Mn 1 N 2 O 3
dc.type	Gaussian job archive

Files	Size	Format	View
input.gjf	5.330Kb	chemical/x-gaussian-input	View/Open
logfile.log	1.505Mb	chemical/x-gaussian-log	View/Open
checkpoint.fchk.gz	11.32Mb	chemical/x-gaussian-checkpoint	View/Open
cml.xml	10.75Kb	chemical/x-cml	View/Open
inchi.txt	286bytes	chemical/x-inchi	View/Open
smiles.txt	101bytes	chemical/x-smiles	View/Open
wavefunction.wfn	5.013Mb	chemical/x-wavefunction	View/Open
project.txt	8bytes	Text file	View/Open
description.txt	31bytes	Text file	View/Open
archive-cml-1.xml	16.10Kb	chemical/x-cml	View/Open
archive-cml-2.xml	24.25Kb	chemical/x-cml	View/Open