Paul W. Ayers

Variational Principles for Describing Chemical Reactions:  The Fukui Function and Chemical Hardness Revisited

Paul W. Ayers, Robert G. Parr · Journal of the American Chemical Society · 2000 · 931 citations

Natural Sciences, Chemistry, Physics +11

Critical analysis and extension of the Hirshfeld atoms in molecules

Patrick Bultinck, Christian Van Alsenoy, Paul W. Ayers et al. · The Journal of Chemical Physics · 2007 · 771 citations · Full text

Natural Sciences, Chemistry, Physics +13

Perturbative perspectives on the chemical reaction prediction problem

Paul W. Ayers, James S. M. Anderson, Libero J. Bartolotti · International Journal of Quantum Chemistry · 2004 · 508 citations

Natural Sciences, Chemistry, Physics +13

Conceptual density functional theory: status, prospects, issues

Paul Geerlings, Eduardo Chamorro, Pratim Kumar Chattaraj et al. · Theoretical Chemistry Accounts · 2020 · 462 citations · Full text

Natural Sciences, Mathematics, Physics +10

Degenerate Ground States and a Fractional Number of Electrons in Density and Reduced Density Matrix Functional Theory

Weitao Yang, Yingkai Zhang, Paul W. Ayers · Physical Review Letters · 2000 · 457 citations

Natural Sciences, Physics, Condensed Matter Physics +15