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Ingrid Jelemenska
Slovak University of Technology in Bratislava
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SCHOLARLY PAPERS
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Scholarly Papers (1)
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1.
Isomerization Pathway of a Deprotonated Form of the Diastereomeric Dinickel(II) Bis(Octaazamacrocyclic) Complex - A DFT Study
Number of pages: 15
Posted: 24 May 2023
Ingrid Jelemenska,
Michal Zalibera
,
Peter Rapta
,
Anatoly A. Dobrov
,
Vladimir B. Arion
and
Lukas Bucinsky
Slovak University of Technology in Bratislava, Slovak University of Technology in Bratislava, Slovak University of Technology in Bratislava, University of Vienna, University of Vienna and Slovak University of Technology in Bratislava
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Abstract:
DFT, nickel complexes, isomerization pathway, anti-syn isomer, scan, potential energy surfaces
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