Massively parallel fragment-based quantum chemistry for large molecular systems: the serestipy software.
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| Title: | Massively parallel fragment-based quantum chemistry for large molecular systems: the serestipy software. |
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| Authors: | Eschenbach, Patrick, Niemeyer, Niklas, Neugebauer, Johannes j.neugebauer@uni-muenster.de |
| Source: | Canadian Journal of Chemistry. Sep2023, Vol. 101 Issue 9, p641-655. 15p. |
| Database: | Environment Complete |
| ISSN: | 00084042 |
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| DOI: | 10.1139/cjc-2022-0243 |
