Repository logo
 

Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT

Simple item page
dc.contributor.authorPrice, Alastair J. A.
dc.contributor.authorMayo, R. Alex
dc.contributor.authorOtero-de-la-Roza, Alberto
dc.contributor.authorJohnson, Erin R.
dc.date.accessioned2025-04-17T17:59:44Z
dc.date.available2025-04-17T17:59:44Z
dc.date.issued2023-01-12
dc.descriptionThis document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in CrystEngComm, copyright Royal Society of Chemistry after peer review. To access the final edited and published work see https://doi.org/10.1039/D2CE01594C
dc.identifier.citationCrystEngComm 25, 953-960 (2023)
dc.identifier.urihttps://hdl.handle.net/10222/85025
dc.publisherRoyal Society of Chemistry
dc.relation.ispartofCrystEngComm
dc.titleAccurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT

Files

Original bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
aimscsp.pdf
Size:
1.96 MB
Format:
Adobe Portable Document Format
Download

License bundle

Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
2.03 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Johnson, Erin R.