On the performance of the hybrid TPSS meta-GGA functional to study the singlet open-shell structures: A combined theoretical and experimental investigations of the Ni2O2 molecule

Title
On the performance of the hybrid TPSS meta-GGA functional to study the singlet open-shell structures: A combined theoretical and experimental investigations of the Ni2O2 molecule
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 903, Issue 1-3, Pages 4-10
Publisher
Elsevier BV
Online
2009-01-24
DOI
10.1016/j.theochem.2009.01.018

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