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.
| Main Authors: | , |
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| Format: | Other/Unknown Material |
| Language: | unknown |
| Published: |
Zenodo
2024
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| Subjects: | |
| Online Access: | https://doi.org/10.5281/zenodo.10863848 |
| Summary: | 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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