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: | Article in Journal/Newspaper |
| Language: | unknown |
| Published: |
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 |
| 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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