Hardness Profile: A Critical Study
The Journal of Physical Chemistry A2001Vol. 105(14), pp. 3578–3582
Citations Over TimeTop 11% of 2001 papers
Abstract
The change in hardness and chemical potential along a reaction coordinate has been studied on the basis of the finite difference formula for hardness and chemical potential. The conditions where the hardness profile can have an extremum along the reaction coordinate are identified. Numerical demonstrations of inversion of the NH3 molecule and CH3 radical and isomerization of HCN to HNC are given in support of the theoretical results.
Related Papers
- → Mechanistic Insights into the Post‐Cyclization Isomerization in Gold‐Catalyzed 7‐exo‐dig‐Hydroarylations(2015)38 cited
- → Isomerization reactions of n-hexane on partially reduced MoO3/TiO2(2007)33 cited
- → Anisatinic acid and isoanisatinic acid, isomerization products of anisatin(1968)10 cited
- → Novel insight into the photochemical cis-trans isomerization of olefins.(1986)10 cited
- → Isomerization(2017)