Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFTElectronic supplementary information (ESI) available: Tables of relative energies. See DOI: https://doi.org/10.1039/d2ce01594c
In: CrystEngComm, Jg. 25 (2023), Heft 6, S. 953-960
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Zugriff:
Titel: |
Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFTElectronic supplementary information (ESI) available: Tables of relative energies. See DOI: https://doi.org/10.1039/d2ce01594c
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Autor/in / Beteiligte Person: | Price, Alastair J. A. ; Mayo, R. Alex ; Otero-de-la-Roza, Alberto ; Johnson, Erin R. |
Link: | |
Zeitschrift: | CrystEngComm, Jg. 25 (2023), Heft 6, S. 953-960 |
Veröffentlichung: | 2023 |
Medientyp: | serialPeriodical |
ISSN: | 1466-8033 (print) |
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