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Quantum-chemical calculation of molecular structures of Al2Mn3 and Al2Zn3 clusters by using DFT method |
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| Authors: | Mikhailov O. V. Chachkov D. V. |
| Affiliation: | 1.Kazan National Research Technological University, K. Marx Street 68, 420015, Kazan, Russia, 420015 ;2.Joint Supercomputer Center, Kazan Branch, Branch of Federal Scientific Center “Research Institute for System Studies of the RAS”, Russian Academy of Sciences, Lobachevski Street 2/31, Kazan, Russia, 420111 ;3.Kazan (Volga) Federal University, Kremlin Street 18, Kazan, Russia, 420008 ; |
| Abstract: | Structural Chemistry - By using DFT method in the OPBE/TZVP level, key parameters of molecular structures of five-atomic heteronuclear clusters having Al2M3 composition where M = Mn or... |
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