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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| Format: | Article |
| Language: | Arabic |
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College of Science for Women, University of Baghdad
2023-10-01
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| Series: | Baghdad Science Journal |
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| Online Access: | https://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/7428 |