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Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test

Author:
Mayo, R. Alex; Price, Alastair J. A.; Otero de la Roza, AlbertoUniovi authority; Johnson, Erin R.
Publication date:
2024
Publisher version:
http://dx.doi.org/10.1107/S2052520624002774
Citación:
Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials, 80, p. 595-605 (2024); doi:10.1107/S2052520624002774
Descripción física:
p. 595-605
URI:
https://hdl.handle.net/10651/78306
DOI:
10.1107/S2052520624002774
Patrocinado por:

Spanish Ministerio de Ciencia e Innovacion; Agencia Estatal de Investigacion - EU FEDER funds [PGC2021-125518NB-I00, RED2022-134388-T]; Principality of Asturias (FICYT) - EU FEDER [AYUD/2021/51036]; European Union NextGenerationEU/PRTR [TED2021-129457B-I00]; Spanish MCIN/AEI

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