Orca simulation ...
ORCA 6-31g(d) counterpoise correction ... : syn -R 6-31g TS ...
| Main Author: | |
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| Format: | Article in Journal/Newspaper |
| Language: | unknown |
| Published: |
Imperial College London
2013
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.14469/ch/18737 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/24776 |
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ftdatacite:10.14469/ch/18737 |
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openpolar |
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ftdatacite:10.14469/ch/18737 2023-08-27T04:11:24+02:00 Orca simulation ... Mason, Nicholas Mason, Nicholas 2013 https://dx.doi.org/10.14469/ch/18737 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/24776 unknown Imperial College London https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/24776/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/24776/ore.xml Nicholas Mason InChI=1S/C11H16NO2.C7H7O/c13-111410-7-4-8-12109-5-2-1-3-6-9;8-6-7-4-2-1-3-5-7/h5,10H,1-4,6-8H2;1-6,8H/t10-;/m0./s1 ASDIUXRTGCHHNU-PPHPATTJSA-N Orca job archive Collection article 2013 ftdatacite https://doi.org/10.14469/ch/18737 2023-08-07T14:24:23Z ORCA 6-31g(d) counterpoise correction ... : syn -R 6-31g TS ... Article in Journal/Newspaper Orca DataCite Metadata Store (German National Library of Science and Technology) |
| institution |
Open Polar |
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DataCite Metadata Store (German National Library of Science and Technology) |
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ftdatacite |
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unknown |
| topic |
InChI=1S/C11H16NO2.C7H7O/c13-111410-7-4-8-12109-5-2-1-3-6-9;8-6-7-4-2-1-3-5-7/h5,10H,1-4,6-8H2;1-6,8H/t10-;/m0./s1 ASDIUXRTGCHHNU-PPHPATTJSA-N |
| spellingShingle |
InChI=1S/C11H16NO2.C7H7O/c13-111410-7-4-8-12109-5-2-1-3-6-9;8-6-7-4-2-1-3-5-7/h5,10H,1-4,6-8H2;1-6,8H/t10-;/m0./s1 ASDIUXRTGCHHNU-PPHPATTJSA-N Mason, Nicholas Mason, Nicholas Orca simulation ... |
| topic_facet |
InChI=1S/C11H16NO2.C7H7O/c13-111410-7-4-8-12109-5-2-1-3-6-9;8-6-7-4-2-1-3-5-7/h5,10H,1-4,6-8H2;1-6,8H/t10-;/m0./s1 ASDIUXRTGCHHNU-PPHPATTJSA-N |
| description |
ORCA 6-31g(d) counterpoise correction ... : syn -R 6-31g TS ... |
| format |
Article in Journal/Newspaper |
| author |
Mason, Nicholas Mason, Nicholas |
| author_facet |
Mason, Nicholas Mason, Nicholas |
| author_sort |
Mason, Nicholas |
| 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 |
2013 |
| url |
https://dx.doi.org/10.14469/ch/18737 https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/24776 |
| genre |
Orca |
| genre_facet |
Orca |
| op_relation |
https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/24776/mets.xml https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/24776/ore.xml |
| op_rights |
Nicholas Mason |
| op_doi |
https://doi.org/10.14469/ch/18737 |
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