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In this work, we sketched the time evolution of the HSAB theory. We see
that the HSAB theory is much sublimated with the seminal work of Parr
and coworkers within the scope of DFT such that it has been an important
chapter of theoretical chemistry of present-day science. The hardness is
neither an experimental observable nor a quantum mechanically measur-
able quantity. But still it is reified, modeled, and measured to quantify the
HSAB principle.
The famous Pareto principle “Effi ciency is highest when partners are
both well satisfi ed,” is appears in chemistry also, and that is the HSAB
principle.
ACKNOWLEDGMENT
NAZMUL ISLAM thanks the management of University of Kalyani,
Techno Global-Balurghat, and Techno India Group for providing research
facility.
KEYWORDS
Conceptual density functional theory (DFT)
Hard-soft acid-base theory
Periodicity
Time evolution of the HSAB theory
REFERENCES
1. Sce rri, E.; The Periodic Table: Its Story and Its Significance. Oxford [Oxford-
shire]: Oxford University Press; 2007 .
2. Frenking, G.; and Krapp, A.; Unicorns in the world of chemical bonding mod-
els. J. Comput. Chem. 2007, 28, 15-24.
3. Ayers, P. W.; The physical basis of the hard/soft acid/base principle. Faraday
Discuss . 2007, 135 , 161-190.
4. Parr, R. G.; Ayers, P. W.; and Nalewajski, R. F.; What is an atom in a mole-
cule? J. Phys. Chem. A . 2005, 109, 3957-3959.
5. Huheey, J. E.; Keiter, E. A.; and Keiter, R. L.; Inorganic Chemistry, Principles
of Structure and Reactivity. New York: Addison-Wesley Publishing Compa-
ny; 4th edition. 1993 .
6. Putz, M. V.; Maximum hardness index of quantum acid-base bonding.
MATCH Commun. Math. Comput. Chem. 2008, 60, 845-868.
 
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