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8 Result(s)

within M. A. Ryabov Remove this filter Solid State Physics Remove this filter

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  1. No Access

    Article

    nd, (n+1)s and (n+1)p valence atomic orbital exponents of transition metal atoms and ions, and slater-condon parameters calculated from their atomic spectra

    O. O. Charkin, A. E. Smolyar, M. A. Ryabov in Journal of Structural Chemistry (1973)

  2. No Access

    Article

    Calculation of the single-center parameters F0 (nl, n′l′) and Unl by means of slater functions with “spectroscopical” exponents

    O. P. Charkin, M. B. Zuev, A. E. Smolyar, M. A. Ryabov in Journal of Structural Chemistry (1974)

  3. No Access

    Article

    A version of the "frozen core AO" approximation in nonempirical calculations of molecules by Roothaan's MO LCAO SCF method

    M. A. Ryabov, N. M. Klimenko, O. P. Charkin in Journal of Structural Chemistry (1975)

  4. No Access

    Article

    Transferability of the electronic structures of fragments and mutual influence of atoms in isovalently substituted and variable-valence series of linear inorganic molecules from the results of ab initio calculations

    O. P. Charkin, M. A. Ryabov, A. K. Molodkin… in Journal of Structural Chemistry (1976)

  5. No Access

    Article

    Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid

    X-ray crystallography, quantum chemical modeling, IR, and electron spectroscopy methods are used to establish the structure of N-hydroxyamide of 3-[3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-iden]-2-oxopropa...

    V. V. Davydov, E. I. Polyakova, M. A. Ryabov… in Journal of Structural Chemistry (2019)

  6. No Access

    Article

    CHARGE TRANSFER COMPLEXES OF NITRO DERIVATIVES OF 9,10-PHENANTHRENEQUINONE WITH ANTHRACENE. CRYSTAL AND MOLECULAR STRUCTURES OF THE (1:1) COMPLEX OF 2,4,7-TRINITRO-9,10-PHENANTHRENEQUINONE WITH ANTHRACENE

    Charge transfer complexes (CTCs) are obtained by the interaction of 9,10-phenanthrenequinone nitro derivatives with anthracene. By electron spectroscopy it is established that the acceptor properties of the fo...

    R. V. Linko, M. A. Ryabov, P. V. Strashnov… in Journal of Structural Chemistry (2021)

  7. No Access

    Article

    QUANTUM CHEMICAL SIMULATION OF 2,4,7-TRINITRO-9H-FLUORENE-9-ONE CHARGE-TRANSFER COMPLEXES WITH NONLINEAR POLYCYCLIC AROMATIC HYDROCARBONS. CRYSTAL AND MOLECULAR STRUCTURE OF THE (1:1) 2,4,7-TRINITRO-9H- FLUORENE-9-ONE COMPLEX WITH PHENANTHRENE

    Structure and properties of 2,4,7-trinitro-9H-fluorene-9-one charge-transfer complexes with non-linear polycyclic aromatic hydrocarbons acting as donors are studied using quantum chemical calculations in the dens...

    R. V. Linko, M. A. Ryabov, V. V. Davydov… in Journal of Structural Chemistry (2022)

  8. No Access

    Article

    Charge Transfer Complexes of 9H-Fluoren-9-One Derivatives with 9-Methyl-9H-Carbazole: Quantum Chemical Simulation, Single Crystal X-Ray Diffraction Analysis

    Based on DFT quantum chemical calculations, data on the structures and properties of charge transfer complexes of 9H-fluoren-9-one derivatives with с 9-methyl-9H-carbazole are obtained. Formation energies of the ...

    R. V. Linko, M. A. Ryabov, V. V. Davydov… in Journal of Structural Chemistry (2023)