Quantum Theory of Atom in Molecules Investigation Trinuclear Ruthenium: DFT Approach

Quantum Theory of Atom in Molecules Investigation Trinuclear Ruthenium: DFT Approach

The topological indices of the "[(µ3-2, 5-dioxyocyclohexylidene)-bis ((2-hydrido)-nonacarbonyltriruthenium]” were studied within the quantum theory of atoms in the molecule (QTAIM), clusters are analyzed using the density functional theory (DFT). The estimated topological variables accord wit...

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Bibliographic Details
Main Author:	Manal Abed Mohammed
Format:	Article
Language:	Arabic
Published:	College of Science for Women, University of Baghdad 2023-10-01
Series:	Baghdad Science Journal
Subjects:	Ru cluster, Aim, DFT, Laplacian, Delocalization
Online Access:	https://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/7428

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