Dataset of "COSMOSol: Efficient Solvent Screening for Polymer Additives with Open-Source COSMO-SAC"
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Zenodo
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| Autori principali: | , , , |
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| Natura: | Recurso digital |
| Lingua: | inglese |
| Pubblicazione: |
Zenodo
2026
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| Soggetti: | |
| Accesso online: | |
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| _version_ | 1866901886122065920 |
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| author | Bouz, Adam Klajmon, Martin Bouzek, Karel Paušová, Šárka |
| author_facet | Bouz, Adam Klajmon, Martin Bouzek, Karel Paušová, Šárka |
| contents | The dataset contains an archival version of COSMOSol - a computational tool for predicting thermodynamic properties and the solubility of solid organic substances in solvents, and for performing solvent screening using the COSMO-SAC model. It includes all COSMOSol source codes and input data, and reproduces the exact version used to generate the results presented in the associated manuscript (as of 2026-02-26; assuming that the COSMO-SAC package version 1.0.1 is used). COSMOSol repository at GitHub: https://github.com/AdamBouz/COSMOSol. Comprehensive documentation is included within the package and available on the GitHub page. |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18789359 |
| institution | Zenodo |
| language | eng |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Dataset of "COSMOSol: Efficient Solvent Screening for Polymer Additives with Open-Source COSMO-SAC" Bouz, Adam Klajmon, Martin Bouzek, Karel Paušová, Šárka VZ4 VZ1 VSCHT 214 021 polymer additives solvent-based recycling solvent screening prediction thermodynamics; solubility COSMO-SAC quantum mechanics The dataset contains an archival version of COSMOSol - a computational tool for predicting thermodynamic properties and the solubility of solid organic substances in solvents, and for performing solvent screening using the COSMO-SAC model. It includes all COSMOSol source codes and input data, and reproduces the exact version used to generate the results presented in the associated manuscript (as of 2026-02-26; assuming that the COSMO-SAC package version 1.0.1 is used). COSMOSol repository at GitHub: https://github.com/AdamBouz/COSMOSol. Comprehensive documentation is included within the package and available on the GitHub page. |
| title | Dataset of "COSMOSol: Efficient Solvent Screening for Polymer Additives with Open-Source COSMO-SAC" |
| topic | VZ4 VZ1 VSCHT 214 021 polymer additives solvent-based recycling solvent screening prediction thermodynamics; solubility COSMO-SAC quantum mechanics |
| url | https://doi.org/10.5281/zenodo.18789359 |