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On the Unexpected Accuracy of the M06L Functional in the Calculation of 1JFC Spin–Spin Coupling Constants.

Authors :
Giovanetti, Marinella de
Bitencourt, Luis Felipe Ferraz
Cormanich, Rodrigo
Sauer, Stephan P. A.
Source :
Journal of Chemical Theory & Computation; 12/14/2021, Vol. 17 Issue 12, p7712-7723, 12p
Publication Year :
2021

Details

Language :
English
ISSN :
15499618
Volume :
17
Issue :
12
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
154245734
Full Text :
https://doi.org/10.1021/acs.jctc.1c00287