Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT
Publication date:
2023
Publisher version:
Citación:
Crystengcomm, 25(6), p. 953-960 (2023); doi:10.1039/d2ce01594c
Descripción física:
p. 953-960
ISSN:
DOI:
Patrocinado por:
This research was funded by the Natural Sciences and Engineering Research Council (NSERC) of Canada. AOR thanks: the Spanish Ministerio de Ciencia e Innovación and the Agencia Estatal de Investigación, project PGC2021-125518NB-I00 cofinanced by EU FEDER; the Principality of Asturias (FICYT), project AYUD/2021/51036 cofinanced by EU FEDER; the Spanish MINECO for a Ramón y Cajal fellowship (RyC-2016-20301); and the Spanish MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR for grant TED2021-129457B-I00.
Id. Proyecto:
MICINN/PGC2021-125518NB-I00
AYUD/2021/51036
MINECO/RyC-2016-20301
MCIN/AEI/10.13039/501100011033
TED2021-129457B-I00
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