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43 ta ish

Ish: 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

    Maqola198884 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

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

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

    Maqola198029 iqtibos
    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

    Maqola200729 iqtibos
    ABI

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

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201125 iqtibos
    ABI

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

    Nazira Madusmanova, Zulayho Smanova, I. I. Zhuraev

    MaqolaAnalytical Chemistry and ChromatographyJournal of Analytical Chemistry202010 iqtibos
    ABI

  7. Quantum Mechanical Continuum Solvation Models

    Jacopo Tomasi, Benedetta Mennucci, Roberto Cammi

    Sharh maqola20059 iqtibos
    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

    Maqola20098 iqtibos
    ABI

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

    A. D. McLean, G. S. Chandler

    Maqola19807 iqtibos
    ABI

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

    B. Miehlich, Andreas Savin, Hermann Stoll +1

    Maqola19897 iqtibos
    ABI

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

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

    Maqola20046 iqtibos
    ABI

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

    Thom H. Dunning

    Maqola19896 iqtibos
    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

    Maqola19925 iqtibos
    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

    Maqola19905 iqtibos
    ABI

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

    Enrico Benassi, Franco Egidi, Vincenzo Barone

    Maqola20154 iqtibos
    ABI

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

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

    MaqolaAnalytical Chemistry and SensorsInternational Journal of Environmental & Analytical Chemistry20243 iqtibos
    ABI

  17. A quadratically convergent Hartree—Fock (QC-SCF) method. Application to closed shell systems

    George B. Bacskay

    Maqola19813 iqtibos
    ABI

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

    Sudeshna Dey, Banismita Tripathy, Manish Kumar +1

    Maqola20233 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI