Browse
Search
TEXT
input.
gjf
(3.09 kB)
view
download
Download file
.GZ
checkpoint.fchk.
gz
(2.48 MB)
view
download
Download file
TEXT
cml.
xml
(0 kB)
view
download
Download file
.LOG
logfile.
log
(33.71 kB)
view
download
Download file
MOLECULE
structure.
pdb
(9.18 kB)
view
download
Download file
TEXT
wavefunction.
wfn
(937.17 kB)
view
download
Download file
Next page
Previous page
1/1
Switch View
Switch between different file views
Thumbnail view
List view
File view
6 files
Fullscreen
Gaussian Job Archive for C17H36
Cite
Download all
(3.44 MB)
Share
Embed
dataset
posted on 2013-01-13, 09:07
authored by
Henry S. Rzepa
Henry S. Rzepa
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/10042/22426
http://www.chemspider.com/Search.aspx?q=InChIKey=NDJKXXJCMXVBJW-UHFFFAOYSA-N
http://www.ch.ic.ac.uk/rzepa/data-descriptors/
Usage metrics
Categories
Organic chemistry not elsewhere classified
Keywords
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKey=NDJKXXJCMXVBJW-UHFFFAOYSA-N
CCCCCCCCCCCCCCCCC
C17H36
wB97XD/6-311G(d,p)
output=wfn
Organic Chemistry
Licence
CC BY 4.0
Exports
Select an option
RefWorks
BibTeX
Ref. manager
Endnote
DataCite
NLM
DC
CC BY 4.0