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XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy
| dc.contributor.author | Price, A. J. A. | |
| dc.contributor.author | Otero de la Roza, Alberto | |
| dc.contributor.author | Johnson, E. R. | |
| dc.date.accessioned | 2023-05-18T08:23:29Z | |
| dc.date.available | 2023-05-18T08:23:29Z | |
| dc.date.issued | 2022 | |
| dc.identifier.citation | Chemical Science, 14(5), p. 1252-1262 (2022); doi:10.1039/d2sc05997e | |
| dc.identifier.issn | 2041-6520 | |
| dc.identifier.uri | http://hdl.handle.net/10651/68325 | |
| dc.description.sponsorship | (...) The Spanish Ministerio de Ciencia e Innovación and the Agencia Estatal de Investigación, [project PGC2021-125518NB-I00] co-financed by EU FEDER funds; the Principality of Asturias (FICYT), co-financed by EU FEDER funds [project AYUD/2021/51036]; 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 TED2021-129457BI00. | |
| dc.format.extent | p. 1252-1262 | |
| dc.language.iso | eng | |
| dc.relation.ispartof | Chemical Science | |
| dc.rights | © 2023 The author(s). Published by the Royal Society of Chemistry | |
| dc.rights | CC Reconocimiento 4.0 Internacional | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.source | Scopus | |
| dc.source.uri | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146276457&doi=10.1039%2fd2sc05997e&partnerID=40&md5=b058fb731317b0df99acfb85be9208c8 | |
| dc.title | XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy | |
| dc.type | journal article | |
| dc.identifier.doi | 10.1039/d2sc05997e | |
| dc.relation.projectID | MCIN/AEI/FEDER/PGC2021-125518NB-I00 | |
| dc.relation.projectID | FICYT/FEDER/AYUD/2021/51036 | |
| dc.relation.projectID | MINEFCO/Ramón y Cajal/RyC-2016-20301 | |
| dc.relation.projectID | EU/TED2021-129457BI00 | |
| dc.relation.publisherversion | http://dx.doi.org/10.1039/d2sc05997e | |
| dc.rights.accessRights | open access | |
| dc.type.hasVersion | VoR |
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