Orca simulation ...
octaphyrins ... : 30 RI-B2GP-B2PLYP TZVP TZV/C Opt ...
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Imperial College London
2009
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Online Access: | https://dx.doi.org/10.14469/ch/2077 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2102 |
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ftdatacite:10.14469/ch/2077 2023-08-27T04:11:25+02:00 Orca simulation ... Rzepa, Henry S 2009 https://dx.doi.org/10.14469/ch/2077 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2102 en eng Imperial College London https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2102/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2102/ore.xml Henry S Rzepa InChI=1/C30H30/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-30H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9-,12-10-,13-11+,14-12+,15-13+,16-14+,17-15+,18-16+,19-17+,20-18+,21-19-,22-20-,23-21+,24-22+,25-23+,26-24+,27-25+,28-26+,29-27+,30-28+,30-29- InChIKey=YGAONFZLXDXJSM-FJSGPCQUBH C1=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=C1 Orca job archive Collection article 2009 ftdatacite https://doi.org/10.14469/ch/2077 2023-08-07T14:24:23Z octaphyrins ... : 30 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/C30H30/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-30H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9-,12-10-,13-11+,14-12+,15-13+,16-14+,17-15+,18-16+,19-17+,20-18+,21-19-,22-20-,23-21+,24-22+,25-23+,26-24+,27-25+,28-26+,29-27+,30-28+,30-29- InChIKey=YGAONFZLXDXJSM-FJSGPCQUBH C1=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=C1 |
spellingShingle |
InChI=1/C30H30/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-30H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9-,12-10-,13-11+,14-12+,15-13+,16-14+,17-15+,18-16+,19-17+,20-18+,21-19-,22-20-,23-21+,24-22+,25-23+,26-24+,27-25+,28-26+,29-27+,30-28+,30-29- InChIKey=YGAONFZLXDXJSM-FJSGPCQUBH C1=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=C1 Rzepa, Henry S Orca simulation ... |
topic_facet |
InChI=1/C30H30/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-30H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9-,12-10-,13-11+,14-12+,15-13+,16-14+,17-15+,18-16+,19-17+,20-18+,21-19-,22-20-,23-21+,24-22+,25-23+,26-24+,27-25+,28-26+,29-27+,30-28+,30-29- InChIKey=YGAONFZLXDXJSM-FJSGPCQUBH C1=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=C1 |
description |
octaphyrins ... : 30 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/2077 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2102 |
genre |
Orca |
genre_facet |
Orca |
op_relation |
https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2102/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2102/ore.xml |
op_rights |
Henry S Rzepa |
op_doi |
https://doi.org/10.14469/ch/2077 |
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1775354194554781696 |