Orca simulation ...

octaphyrins ... : RI-B2GP-B2PLYP TZVP TZV/C Opt ...

Bibliographic Details
Main Author:	Rzepa, Henry S
Format:	Article in Journal/Newspaper
Language:	English
Published:	Imperial College London 2009
Subjects:	InChI=1/C22H24/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-10,13-22H,11-12H2/b2-1-,5-3+,6-4+,9-7+,10-8+,15-13+,16-14+,19-17+,20-18+,22-21- InChIKey=XEFUJULPYNDLRI-XFXZGJFXBO C=1C=CC=CCC=CC=CC=CC=CC=CCC=CC=CC1 Orca
Online Access:	https://dx.doi.org/10.14469/ch/1786 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-1811

id	ftdatacite:10.14469/ch/1786
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spelling	ftdatacite:10.14469/ch/1786 2023-08-27T04:11:25+02:00 Orca simulation ... Rzepa, Henry S 2009 https://dx.doi.org/10.14469/ch/1786 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-1811 en eng Imperial College London https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-1811/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-1811/ore.xml Henry S Rzepa InChI=1/C22H24/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-10,13-22H,11-12H2/b2-1-,5-3+,6-4+,9-7+,10-8+,15-13+,16-14+,19-17+,20-18+,22-21- InChIKey=XEFUJULPYNDLRI-XFXZGJFXBO C=1C=CC=CCC=CC=CC=CC=CC=CCC=CC=CC1 Orca job archive Collection article 2009 ftdatacite https://doi.org/10.14469/ch/1786 2023-08-07T14:24:23Z octaphyrins ... : RI-B2GP-B2PLYP TZVP TZV/C Opt ... Article in Journal/Newspaper Orca DataCite Metadata Store (German National Library of Science and Technology)
institution	Open Polar
collection	DataCite Metadata Store (German National Library of Science and Technology)
op_collection_id	ftdatacite
language	English
topic	InChI=1/C22H24/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-10,13-22H,11-12H2/b2-1-,5-3+,6-4+,9-7+,10-8+,15-13+,16-14+,19-17+,20-18+,22-21- InChIKey=XEFUJULPYNDLRI-XFXZGJFXBO C=1C=CC=CCC=CC=CC=CC=CC=CCC=CC=CC1
spellingShingle	InChI=1/C22H24/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-10,13-22H,11-12H2/b2-1-,5-3+,6-4+,9-7+,10-8+,15-13+,16-14+,19-17+,20-18+,22-21- InChIKey=XEFUJULPYNDLRI-XFXZGJFXBO C=1C=CC=CCC=CC=CC=CC=CC=CCC=CC=CC1 Rzepa, Henry S Orca simulation ...
topic_facet	InChI=1/C22H24/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-10,13-22H,11-12H2/b2-1-,5-3+,6-4+,9-7+,10-8+,15-13+,16-14+,19-17+,20-18+,22-21- InChIKey=XEFUJULPYNDLRI-XFXZGJFXBO C=1C=CC=CCC=CC=CC=CC=CC=CCC=CC=CC1
description	octaphyrins ... : RI-B2GP-B2PLYP TZVP TZV/C Opt ...
format	Article in Journal/Newspaper
author	Rzepa, Henry S
author_facet	Rzepa, Henry S
author_sort	Rzepa, Henry S
title	Orca simulation ...
title_short	Orca simulation ...
title_full	Orca simulation ...
title_fullStr	Orca simulation ...
title_full_unstemmed	Orca simulation ...
title_sort	orca simulation ...
publisher	Imperial College London
publishDate	2009
url	https://dx.doi.org/10.14469/ch/1786 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-1811
genre	Orca
genre_facet	Orca
op_relation	https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-1811/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-1811/ore.xml
op_rights	Henry S Rzepa
op_doi	https://doi.org/10.14469/ch/1786
_version_	1775354185400713216

Orca simulation ...

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