A QM/MM program using frozen localized orbitals and the Huzinaga equation
Crossref DOI link: https://doi.org/10.1007/s00214-015-1734-3
Published Online: 2015-10-16
Published Print: 2015-11
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Hégely, Bence
Bogár, Ferenc
Ferenczy, György G.
Kállay, Mihály
Funding for this research was provided by:
NIIF Institute, Budapest, Hungary
TÁMOP (4.2.1/B-09/1/KMR-2010-0002)
OTKA (K111862)
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