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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.
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
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  Data: Massively parallel fragment-based quantum chemistry for large molecular systems: the serestipy software.
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  Data: <searchLink fieldCode="AR" term="%22Eschenbach%2C+Patrick%22">Eschenbach, Patrick</searchLink><br /><searchLink fieldCode="AR" term="%22Niemeyer%2C+Niklas%22">Niemeyer, Niklas</searchLink><br /><searchLink fieldCode="AR" term="%22Neugebauer%2C+Johannes%22">Neugebauer, Johannes</searchLink><i> j.neugebauer@uni-muenster.de</i>
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  Data: <searchLink fieldCode="JN" term="%22Canadian+Journal+of+Chemistry%22">Canadian Journal of Chemistry</searchLink>. Sep2023, Vol. 101 Issue 9, p641-655. 15p.
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        Value: 10.1139/cjc-2022-0243
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        Text: English
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        PageCount: 15
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      – TitleFull: Massively parallel fragment-based quantum chemistry for large molecular systems: the serestipy software.
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            – D: 01
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              Text: Sep2023
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              Y: 2023
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