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...

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Bibliographic Details
Main Authors: Ivan Ogurtsov, Andrei Tihonovschi
Format: Article
Language:English
Published: Academy of Sciences of Moldova, Institute of Chemistry 2008-06-01
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