Orca simulation ...
octaphyrins ... : 30 RI-B2GP-B2PLYP TZVP TZV/C Opt ...
| Main Author: | |
|---|---|
| Format: | Article in Journal/Newspaper |
| Language: | English |
| Published: |
Imperial College London
2009
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.14469/ch/2076 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2101 |
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ftdatacite:10.14469/ch/2076 |
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openpolar |
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ftdatacite:10.14469/ch/2076 2023-08-27T04:11:25+02:00 Orca simulation ... Rzepa, Henry S 2009 https://dx.doi.org/10.14469/ch/2076 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2101 en eng Imperial College London https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2101/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2101/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/2076 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) |
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Open Polar |
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English |
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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 |
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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/2076 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2101 |
| genre |
Orca |
| genre_facet |
Orca |
| op_relation |
https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2101/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/to-2101/ore.xml |
| op_rights |
Henry S Rzepa |
| op_doi |
https://doi.org/10.14469/ch/2076 |
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1775354194736185344 |