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Authors
Sebastian Ehlert (0000-0001-7809-771X)
Citation
Ehlert, S., (2024). Simple DFT-D3: Library first implementation of the D3 dispersion correction. Journal of Open Source Software, 9(103), 7169, https://doi.org/10.21105/joss.07169
@article{Ehlert2024,
doi = {10.21105/joss.07169},
url = {https://doi.org/10.21105/joss.07169},
year = {2024},
publisher = {The Open Journal},
volume = {9},
number = {103},
pages = {7169},
author = {Sebastian Ehlert},
title = {Simple DFT-D3: Library first implementation of the D3 dispersion correction},
journal = {Journal of Open Source Software}
}
Tags
computational chemistry density functional theory dispersion correction
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