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CITATION.bib
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@article{dftd4-1,
author = {Eike Caldeweyher and Christoph Bannwarth and Stefan Grimme},
journal = {J. Chem. Phys.},
title = {Extension of the D3 dispersion coefficient model},
year = {2017},
month = {7},
number = {3},
pages = {034112},
volume = {147},
doi = {10.1063/1.4993215},
publisher = {{AIP} Publishing}
}
@article{dftd4-2,
author = {Eike Caldeweyher and Sebastian Ehlert and Andreas Hansen and Hagen Neugebauer and Sebastian Spicher and Christoph Bannwarth and Stefan Grimme},
journal = {J. Chem. Phys.},
title = {A generally applicable atomic-charge dependent London dispersion correction},
year = {2019},
month = {4},
number = {15},
pages = {154122},
volume = {150},
doi = {10.1063/1.5090222},
publisher = {{AIP} Publishing}
}
@article{dftd4-periodic,
author = {Eike Caldeweyher and Jan-Michael Mewes and Sebastian Ehlert and Stefan Grimme},
journal = {Phys. Chem. Chem. Phys.},
title = {Extension and evaluation of the D4 London-dispersion model for periodic systems},
year = {2020},
number = {16},
pages = {8499--8512},
volume = {22},
doi = {10.1039/d0cp00502a},
publisher = {Royal Society of Chemistry ({RSC})}
}
@article{dftd4-rsh,
author = {Friede, Marvin and Ehlert, Sebastian and Grimme, Stefan and Mewes, Jan-Michael},
title = {Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends},
journal = {Journal of Chemical Theory and Computation},
volume = {19},
number = {22},
pages = {8097-8107},
year = {2023},
doi = {10.1021/acs.jctc.3c00717},
note = {PMID: 37955590},
url = {https://doi.org/10.1021/acs.jctc.3c00717}
}
@article{dftd4-actinides,
author = {Wittmann, Lukas and Gordiy, Igor and Friede, Marvin and Helmich-Paris, Benjamin and Grimme, Stefan and Hansen, Andreas and Bursch, Markus},
title = {Extension of the D3 and D4 London dispersion corrections to the full actinides series},
journal = {Phys. Chem. Chem. Phys.},
year = {2024},
volume = {26},
issue = {32},
pages = {21379-21394},
publisher = {The Royal Society of Chemistry},
doi = {10.1039/D4CP01514B},
url = {http://dx.doi.org/10.1039/D4CP01514B},
}