• P K Nandi

      Articles written in Journal of Chemical Sciences

    • Improved hardness parameters for molecules

      P K Chattaraj P K Nandi A B Sannigrahi

      More Details Abstract Fulltext PDF

      It is shown that molecular hardness can be expressed as the geometric mean of the hardness values for constituent atoms. Using this principle the hardness values for several molecules have been calculated from the pertinent atomic data obtained through a five-point finite difference formula. Finally, gradation of several acids and bases into hard, border-line and soft categories has been made on the basis of their calculated hardness values.

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