Conclusions
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1.
A quantum chemical calculation was made of the vanadyl aqua complex, in which some new x-ray structure parameters were taken into account, and the hydrogen atoms and the hybrid orbitals of the oxygen of water were included.
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2.
Taking into account spin-orbital coupling, the energy of the system of levels, the density of the charges on the atoms, the character of the metal-hydrogenπ-bond, and the value of the g factor, were calculated.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1609–1611, July, 1973.
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Murav'ev, V.I., Ovchinnikov, I.V. & Yunusov, N.B. Electronic structure and magnetic properties of VO2+ pentaaqua complex. Russ Chem Bull 23, 1530–1532 (1974). https://doi.org/10.1007/BF00929671
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DOI: https://doi.org/10.1007/BF00929671