A Density Functional Approach to Hardness, Polarizability, and Valency of Molecules in Chemical Reactions
The Journal of Physical Chemistry1996Vol. 100(30), pp. 12295–12298
Citations Over TimeTop 10% of 1996 papers
Abstract
We have studied the variation of hardness, polarizability, and valency of molecules during the course of a chemical reaction. For isomerization reactions, the quantities are calculated through Kohn−Sham version of spin-polarized density functional theory while for other types of reactions, available data on polarizability are used for the study. It is observed that a state of minimum polarizability usually can be associated with higher stability or maximum hardness.
Related Papers
- Verb-valency in contemporary Polish: A study of the major valency-types(1988)
- → Mixed Valency Systems: Applications in Chemistry, Physics and Biology(1991)176 cited
- → Valency-decreasing operations in a valency-increasing language?(2017)1 cited
- → XCV. The valency of the transition metals in some binary and ternary alloys(1953)17 cited
- → The quantum chemistry of valency(1986)7 cited