A B Sannigrahi
Articles written in Journal of Chemical Sciences
Volume 96 Issue 3-4 February 1986 pp 253-262
Volume 103 Issue 4 June 1991 pp 583-589 Physical and Theoretical
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.
Volume 134, 2022
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode