C 1 H 4

DSpace/Manakin Repository

dc.contributor	Henry S Rzepa
dc.date.accessioned	2012-12-13T08:28:17Z
dc.date.available	2012-12-13T08:28:17Z
dc.date.issued	2012-12-13
dc.identifier	InChI=1S/CH4/h1H4
dc.identifier	InChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N
dc.identifier.uri	http://hdl.handle.net/10042/22282
dc.identifier.uri	http://dx.doi.org/10.14469/ch/16243
dc.description	3rd year
dc.description	General basis set for optical rotations
dc.publisher	Imperial College London
dc.rights	Henry S Rzepa
dc.title	C 1 H 4
dc.type	Gaussian job archive

Files	Size	Format	View
input.gjf	2.055Kb	chemical/x-gaussian-input	View/Open
logfile.log	19.32Kb	chemical/x-gaussian-log	View/Open
checkpoint.fchk.gz	16.48Kb	chemical/x-gaussian-checkpoint	View/Open
cml.xml	749bytes	chemical/x-cml	View/Open
inchi.txt	55bytes	chemical/x-inchi	View/Open
smiles.txt	2bytes	chemical/x-smiles	View/Open
wavefunction.wfn	0bytes	chemical/x-wavefunction	View/Open
project.txt	8bytes	Text file	View/Open
description.txt	39bytes	Text file	View/Open
archive-cml-1.xml	2.555Kb	chemical/x-cml	View/Open