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Works cited by this work

155 works

Work: 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

    Article1996153 citations
    ABI

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

    Carlo Adamo, Vincenzo Barone

    Article199915 citations
    ABI

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

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

    Article20019 citations
    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

    Article19726 citations
    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

    Article19855 citations
    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

    Article19824 citations
    ABI

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

    P. C. Hariharan, John A. Pople

    Article19734 citations
    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

    Article19854 citations
    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

    Article19853 citations
    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

    Article19993 citations
    ABI

  11. The Biological Chemistry of the Elements

    J J R Fraústo da Silva, Richard J. Williams

    Book20012 citations
    ABI

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