Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ...
This entry includes input and output files for performing quantum mechanical simulations of cytosine and flucytosine using HF, DFT and MP2 methods with different basiss sets using ORCA. ...
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| Format: | Article in Journal/Newspaper |
| Language: | unknown |
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Zenodo
2024
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.5281/zenodo.10863848 https://zenodo.org/doi/10.5281/zenodo.10863848 |
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ftdatacite:10.5281/zenodo.10863848 |
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openpolar |
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ftdatacite:10.5281/zenodo.10863848 2024-04-28T08:35:08+00:00 Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ... Monsurat, Lawal Kucukkal, Tugba 2024 https://dx.doi.org/10.5281/zenodo.10863848 https://zenodo.org/doi/10.5281/zenodo.10863848 unknown Zenodo https://dx.doi.org/10.5281/zenodo.10863847 Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 article Workflow CreativeWork 2024 ftdatacite https://doi.org/10.5281/zenodo.1086384810.5281/zenodo.10863847 2024-04-02T12:06:18Z This entry includes input and output files for performing quantum mechanical simulations of cytosine and flucytosine using HF, DFT and MP2 methods with different basiss sets using ORCA. ... 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 |
unknown |
| description |
This entry includes input and output files for performing quantum mechanical simulations of cytosine and flucytosine using HF, DFT and MP2 methods with different basiss sets using ORCA. ... |
| format |
Article in Journal/Newspaper |
| author |
Monsurat, Lawal Kucukkal, Tugba |
| spellingShingle |
Monsurat, Lawal Kucukkal, Tugba Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ... |
| author_facet |
Monsurat, Lawal Kucukkal, Tugba |
| author_sort |
Monsurat, Lawal |
| title |
Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ... |
| title_short |
Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ... |
| title_full |
Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ... |
| title_fullStr |
Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ... |
| title_full_unstemmed |
Data Files for Quantum Mechanical Simulations of Cytosine and Flucytosine using ORCA ... |
| title_sort |
data files for quantum mechanical simulations of cytosine and flucytosine using orca ... |
| publisher |
Zenodo |
| publishDate |
2024 |
| url |
https://dx.doi.org/10.5281/zenodo.10863848 https://zenodo.org/doi/10.5281/zenodo.10863848 |
| genre |
Orca |
| genre_facet |
Orca |
| op_relation |
https://dx.doi.org/10.5281/zenodo.10863847 |
| op_rights |
Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 |
| op_doi |
https://doi.org/10.5281/zenodo.1086384810.5281/zenodo.10863847 |
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1797567291000356864 |