Paul W. Ayers
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Computational Drug Discovery Methods, Free Radicals and Antioxidants
Most-Cited Works
- → Variational Principles for Describing Chemical Reactions: The Fukui Function and Chemical Hardness Revisited(2000)917 cited
- → Critical analysis and extension of the Hirshfeld atoms in molecules(2007)753 cited
- → Perturbative perspectives on the chemical reaction prediction problem(2004)504 cited
- → Degenerate Ground States and a Fractional Number of Electrons in Density and Reduced Density Matrix Functional Theory(2000)450 cited
- → Conceptual density functional theory: status, prospects, issues(2020)443 cited
- → Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity"(2000)440 cited
- → The physical basis of the hard/soft acid/base principle(2006)414 cited
- → What Is an Atom in a Molecule?(2005)403 cited
- → Elucidating the hard/soft acid/base principle: A perspective based on half-reactions(2006)367 cited
- → Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity”(2000)303 cited