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DatasetTowards adiabatic-connection interpolation model with broader applicability
Mar 25, 2025 - DataversePhysical sciences

Śmiga, Szymon; Constantin, Lucian A.; Della Sala Fabio, 2025, "Towards adiabatic-connection interpolation model with broader applicability", https://doi.org/10.18150/5CQ4JY, RepOD, V1

DatasetSemilocal Meta-GGA Exchange-Correlation Approximation From Adiabatic Connection Formalism: Extent and Limitations
Oct 7, 2024 - DataversePhysical sciences

Śmiga, Szymon; Jana, Subrata; Constantin, Lucian A.; Samal, Prasanjit, 2024, "Semilocal Meta-GGA Exchange-Correlation Approximation From Adiabatic Connection Formalism: Extent and Limitations", https://doi.org/10.18150/SJTLHJ, RepOD, V2

DatasetPBE0-D3 results for ligand-protected gold clusters and corresponding cluster-assembled materials
Mar 26, 2024 - DataverseUniversity of Gdańsk

Sikorska, Celina; Vincent, Emma; Schnepf, Andreas; Gaston, Nicola, 2024, "PBE0-D3 results for ligand-protected gold clusters and corresponding cluster-assembled materials", https://doi.org/10.18150/NMVMI9, RepOD, V1

DatasetHybrid DFT calculations: Si defects Ga2O3
Oct 27, 2023

Shokri, Asiyeh; Melikhov, Yevgen; Syryanyy, Yevgen; Demchenko, Iraida.N., 2023, "Hybrid DFT calculations: Si defects Ga2O3", https://doi.org/10.18150/1MQF0J, RepOD, V1

DatasetDFT modelling of the high-pressure behavior of solid bromine
Sep 21, 2022

Kurzydłowski, Dominik; Dalsaniya, Madhavi; Kurzydłowski Krzysztof, 2022, "DFT modelling of the high-pressure behavior of solid bromine", https://doi.org/10.18150/JEF8WU, RepOD, V1

DatasetDFT modelling of the high-pressure phase transitions and reactivity of NaZnF3, Na2ZnF4, and NaZn2F5
Mar 2, 2022

Kurzydłowski, Dominik, 2022, "DFT modelling of the high-pressure phase transitions and reactivity of NaZnF3, Na2ZnF4, and NaZn2F5", https://doi.org/10.18150/PYIVZO, RepOD, V1

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