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Paul W Ayers

Paul W Ayers

McMaster University - Hamilton / Canada
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 642151
person_outline Paul W Ayers's MOST POPULAR ARTICLES
1-) Variational principles for describing chemical reactions: the Fukui function and chemical hardness revisited Journal of the American Chemical Society 122 (9), 2010-2018, 2000
2-) Critical analysis and extension of the Hirshfeld atoms in molecules The Journal of chemical physics 126 (14), 2007
3-) Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity” Parr RG, Yang W (1984) J Am Chem Soc 106: 4049–4050 Theoretical Chemistry Accounts 103 (3), 353-360, 2000
4-) Perturbative perspectives on the chemical reaction prediction problem International Journal of Quantum Chemistry 101 (5), 520-534, 2005
5-) Degenerate ground states and a fractional number of electrons in density and reduced density matrix functional theory Physical Review Letters 84 (22), 5172, 2000