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  1. No Access

    Article

    Study of the activation of molecular oxygen in the presence of manganese(II) complexes

    The electronic structures of the systems [Mn(phen)2]2+ (I), Mn(HCO3 −)2(H2O)3 (II), [Mn(phen)2(H2O)O2]2+ (III) and [Mn(phen)2O2]2+ (IV) have been calculated by the IEHM method. The change in the e...

    S. G. Levitskii, F. A. Spatar’, V. G. Isak… in Theoretical and Experimental Chemistry (1997)

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    Article

    Crystal, molecular, and electronic structure of carboxylate [Fe3O(CH3COO)6(H2O)3]NO3·4H2O

    Results of X-ray structural analysis, IR spectroscopy, and quantum chemical study of the [Fe3O(CH3COO)6(H2O)3]NO3·4H2O complex are reported. The crystal belongs to the monoclinic system with a=15.688(3), b=11.767...

    K. I. Turte, S. G. Shova, F. A. Spatar, M. D. Mazus… in Journal of Structural Chemistry (1994)

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    Article

    Quantum chemical analysis of the electronic structure and Mössbauer parameters of ferro- and ferri-bis-dimethylglyoximates with nitrogen-contanining ligands

    A. B. Smirnov, V. I. Khleskov, K. I. Turte… in Journal of Structural Chemistry (1992)

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    Article

    Adsorbability of halide ions on metal electrodes

    Klopman's scheme was used to estimate the relative changes in ionic energy (δEt) in the transition state: aquo complex-metal electrode surface, from the electronic constitutions of the aquo systems [NaHal·10H2O] ...

    F. A. Spatar', I. I. Vataman in Theoretical and Experimental Chemistry (1991)

  5. No Access

    Article

    Calculation of the electronic structure of α-dioximes and their complexes with Ni, Pd, and Pt by a semiempirical MO LCAO method

    S. S. Budnikov, F. A. Spatar' in Theoretical and Experimental Chemistry (1980)