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Иш: Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [V<sup>IV</sup>O(β-diketonate)<sub>2</sub>] with 2-aminobenzoylhydrazide in aerobic and anaerobic conditions

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола1996153 иқтибос
    ABI

  2. Toward reliable density functional methods without adjustable parameters: The PBE0 model

    Carlo Adamo, Vincenzo Barone

    Мақола199915 иқтибос
    ABI

  3. 6‐31G* basis set for third‐row atoms

    Vitaly A. Rassolov, Mark A. Ratner, John A. Pople +2

    Мақола20019 иқтибос
    ABI

  4. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

    Warren J. Hehre, R. Ditchfield, John A. Pople

    Мақола19726 иқтибос
    ABI

  5. <i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

    P. Jeffrey Hay, Willard R. Wadt

    Мақола19855 иқтибос
    ABI

  6. Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

    Michelle Francl, William J. Pietro, Warren J. Hehre +4

    Мақола19824 иқтибос
    ABI

  7. The influence of polarization functions on molecular orbital hydrogenation energies

    P. C. Hariharan, John A. Pople

    Мақола19734 иқтибос
    ABI

  8. <i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

    P. Jeffrey Hay, Willard R. Wadt

    Мақола19854 иқтибос
    ABI

  9. <i>Ab initio</i> effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

    Willard R. Wadt, P. Jeffrey Hay

    Мақола19853 иқтибос
    ABI

  10. The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

    J. Tomasi, Benedetta Mennucci, Éric Cancès

    Мақола19993 иқтибос
    ABI

  11. The Biological Chemistry of the Elements

    J J R Fraústo da Silva, Richard J. Williams

    Китоб20012 иқтибос
    ABI

  12. Сарлавҳасиз

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