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  • Correcting π-delocalisation errors in conformational energies using density-corrected DFT, with application to crystal polymorphs
Title: Correcting π-delocalisation errors in conformational energies using density-corrected DFT, with application to crystal polymorphs
Award ID(s):
1955554 1955282
PAR ID:
10427280
Author(s) / Creator(s):
; ;
Date Published:
Journal Name:
Molecular Physics
Volume:
121
Issue:
7-8
ISSN:
0026-8976
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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