AB INITIO ANALYSIS OF EXCHANGE INTERACTIONS IN [V2O(BIPY)4CL2]2+ COMPLEX
The ground state was calculated to be a quintet, which means a ferromagnetic interaction between centers. The orbitals participating in exchange interaction according to ROHF+CI calculations are two molecular orbitals consisting of vanadium d-orbitals and two molecular orbitals with main contributio...
Main Authors: | , |
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Format: | Article |
Language: | English |
Published: |
Academy of Sciences of Moldova, Institute of Chemistry
2008-06-01
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Series: | Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry |
Subjects: | |
Online Access: | http://www.cjm.asm.md/sites/default/files/article_files/Ogurtsov%20AB%20initio.pdf |