Junia Melin

Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity Indicator

James S. M. Anderson, Junia Melin, Paul W. Ayers · Journal of Chemical Theory and Computation · 2007 · 154 citations

General-purpose Reactivity Indicator, Engineering, Proton-coupled Electron Transfer +17

Is the Fukui Function a Right Descriptor of Hard−Hard Interactions?

Junia Melin, Felipe Aparicio, V. Subramanian et al. · The Journal of Physical Chemistry A · 2004 · 150 citations

Biochemistry, Natural Sciences, Soft−soft Interactions +9

Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 2. Application to Molecules Where Frontier Molecular Orbital Theory Fails

James S. M. Anderson, Junia Melin, Paul W. Ayers · Journal of Chemical Theory and Computation · 2007 · 113 citations

General-purpose Reactivity Indicator, Engineering, Biochemistry +15

Further links between the maximum hardness principle and the hard/soft acid/base principle: insights from hard/soft exchange reactions

Pratim Kumar Chattaraj, Paul W. Ayers, Junia Melin · Physical Chemistry Chemical Physics · 2007 · 96 citations

Efficient evaluation of analytic Fukui functions

Roberto Flores‐Moreno, Junia Melin, J. V. Ortiz et al. · The Journal of Chemical Physics · 2008 · 78 citations

Numerical Analysis, Complex Function Theory, Numerical Computation +14