patonlab/pyQRC: 1.0.4 ...
Uses cclib to process orca, qchem and gaussian outputs ...
| Main Authors: | , , , |
|---|---|
| Format: | Software |
| Language: | unknown |
| Published: |
Zenodo
2024
|
| Subjects: | |
| Online Access: | https://dx.doi.org/10.5281/zenodo.3365476 https://zenodo.org/doi/10.5281/zenodo.3365476 |
| _version_ | 1821677068009603072 |
|---|---|
| author | Robert Paton Shree Sowndarya Santhanalakkshmi Vejaykummar Guilian Luchini aligfellow |
| author_facet | Robert Paton Shree Sowndarya Santhanalakkshmi Vejaykummar Guilian Luchini aligfellow |
| author_sort | Robert Paton |
| collection | DataCite |
| description | Uses cclib to process orca, qchem and gaussian outputs ... |
| format | Software |
| genre | Orca |
| genre_facet | Orca |
| id | ftdatacite:10.5281/zenodo.3365476 |
| institution | Open Polar |
| language | unknown |
| op_collection_id | ftdatacite |
| op_doi | https://doi.org/10.5281/zenodo.336547610.5281/zenodo.336547710.5281/zenodo.336574010.5281/zenodo.478449210.5281/zenodo.1251082110.5281/zenodo.4784549 |
| op_relation | https://github.com/patonlab/pyQRC/tree/v1.0.4 https://github.com/patonlab/pyQRC/tree/v1.0.4 https://dx.doi.org/10.5281/zenodo.3365477 https://dx.doi.org/10.5281/zenodo.3365740 https://dx.doi.org/10.5281/zenodo.4784492 https://dx.doi.org/10.5281/zenodo.12510821 https://dx.doi.org/10.5281/zenodo.4784549 |
| op_rights | Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 |
| publishDate | 2024 |
| publisher | Zenodo |
| record_format | openpolar |
| spelling | ftdatacite:10.5281/zenodo.3365476 2025-01-17T00:09:01+00:00 patonlab/pyQRC: 1.0.4 ... Robert Paton Shree Sowndarya Santhanalakkshmi Vejaykummar Guilian Luchini aligfellow 2024 https://dx.doi.org/10.5281/zenodo.3365476 https://zenodo.org/doi/10.5281/zenodo.3365476 unknown Zenodo https://github.com/patonlab/pyQRC/tree/v1.0.4 https://github.com/patonlab/pyQRC/tree/v1.0.4 https://dx.doi.org/10.5281/zenodo.3365477 https://dx.doi.org/10.5281/zenodo.3365740 https://dx.doi.org/10.5281/zenodo.4784492 https://dx.doi.org/10.5281/zenodo.12510821 https://dx.doi.org/10.5281/zenodo.4784549 Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 article SoftwareSourceCode Software 2024 ftdatacite https://doi.org/10.5281/zenodo.336547610.5281/zenodo.336547710.5281/zenodo.336574010.5281/zenodo.478449210.5281/zenodo.1251082110.5281/zenodo.4784549 2024-07-03T12:59:11Z Uses cclib to process orca, qchem and gaussian outputs ... Software Orca DataCite |
| spellingShingle | Robert Paton Shree Sowndarya Santhanalakkshmi Vejaykummar Guilian Luchini aligfellow patonlab/pyQRC: 1.0.4 ... |
| title | patonlab/pyQRC: 1.0.4 ... |
| title_full | patonlab/pyQRC: 1.0.4 ... |
| title_fullStr | patonlab/pyQRC: 1.0.4 ... |
| title_full_unstemmed | patonlab/pyQRC: 1.0.4 ... |
| title_short | patonlab/pyQRC: 1.0.4 ... |
| title_sort | patonlab/pyqrc: 1.0.4 ... |
| url | https://dx.doi.org/10.5281/zenodo.3365476 https://zenodo.org/doi/10.5281/zenodo.3365476 |