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43 works

Work: Determination of Mn(II) ions in soil samples by means of a sensitive sorption-spectroscopic method

  1. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Article198884 citations
    ABI

  2. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Article199374 citations
    ABI

  3. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

    R. Krishnan, J. Stephen Binkley, Rolf Seeger +1

    Article198029 citations
    ABI

  4. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    Article200729 citations
    ABI

  5. Effect of the damping function in dispersion corrected density functional theory

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Article201125 citations
    ABI

  6. Properties of the New Analytical Reagent 2-Hydroxy-3-Nitrosonaphthaldehyde

    Nazira Madusmanova, Zulayho Smanova, I. I. Zhuraev

    ArticleAnalytical Chemistry and ChromatographyJournal of Analytical Chemistry202010 citations
    ABI

  7. Quantum Mechanical Continuum Solvation Models

    Jacopo Tomasi, Benedetta Mennucci, Roberto Cammi

    Review article20059 citations
    ABI

  8. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

    Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar

    Article20098 citations
    ABI

  9. Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

    A. D. McLean, G. S. Chandler

    Article19807 citations
    ABI

  10. Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

    B. Miehlich, Andreas Savin, Hermann Stoll +1

    Article19897 citations
    ABI

  11. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

    Takeshi Yanai, David P. Tew, Nicholas C. Handy

    Article20046 citations
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  12. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

    Thom H. Dunning

    Article19896 citations
    ABI

  13. Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

    Rick A. Kendall, Thom H. Dunning, Robert J. Harrison

    Article19925 citations
    ABI

  14. Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

    Curt M. Breneman, Kenneth B. Wiberg

    Article19905 citations
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  15. General Strategy for Computing Nonlinear Optical Properties of Large Neutral and Cationic Organic Chromophores in Solution

    Enrico Benassi, Franco Egidi, Vincenzo Barone

    Article20154 citations
    ABI

  16. Sorption-spectrophotometric determination of bismuth ion (III) using immobilised xylenol orange on modified polyacrylonitrile

    Zulayho Smanova, Bektosh Normatov, Ulug’bek Ahmadjonov +8

    ArticleAnalytical Chemistry and SensorsInternational Journal of Environmental & Analytical Chemistry20243 citations
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  17. A quadratically convergent Hartree—Fock (QC-SCF) method. Application to closed shell systems

    George B. Bacskay

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  18. Ecotoxicological consequences of manganese mining pollutants and their biological remediation

    Sudeshna Dey, Banismita Tripathy, Manish Kumar +1

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