Paul W. Ayers
Paul W. Ayers
Professor of Chemistry & Chemical Biology, McMaster University
Verified email at chemistry.mcmaster.ca - Homepage
Title
Cited by
Cited by
Year
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density Functional Theory
W Yang, P Ayers
Computational Medicinal Chemistry for Drug Design, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Density-functional theory
W Yang, PW Ayers
Computational Medicinal Chemistry for Drug Discovery, 103-132, 2003
21737*2003
Variational principles for describing chemical reactions: the Fukui function and chemical hardness revisited
PW Ayers, RG Parr
Journal of the American Chemical Society 122 (9), 2010-2018, 2000
6562000
Critical analysis and extension of the Hirshfeld atoms in molecules
P Bultinck, C Van Alsenoy, PW Ayers, R Carbó-Dorca
The Journal of chemical physics 126 (14), 144111, 2007
4682007
Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity”
PW Ayers, M Levy
Theoretical Chemistry Accounts 103 (3-4), 353-360, 2000
4012000
Perturbative perspectives on the chemical reaction prediction problem
PW Ayers, JSM Anderson, LJ Bartolotti
International Journal of Quantum Chemistry 101 (5), 520-534, 2005
3952005
What is an atom in a molecule?
RG Parr, PW Ayers, RF Nalewajski
The Journal of Physical Chemistry A 109 (17), 3957-3959, 2005
3752005
Degenerate ground states and a fractional number of electrons in density and reduced density matrix functional theory
W Yang, Y Zhang, PW Ayers
Physical Review Letters 84 (22), 5172, 2000
3732000
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Articles 1–20