Residual charges on atoms in organic structures: A new algorithm for their calculation

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.7K citations

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.6K citations

Engineering, Altmetric Attention Score, Bibliometrics +16

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

Physics, Electron Spectroscopy, Natural Sciences +5

Atoms in molecules

R. F. W. Bader · Accounts of Chemical Research · 1985 · 3.5K citations

Engineering, Databases, Altmetric Attention Score +21

Electronegativity: The density functional viewpoint

Robert G. Parr, Robert A. Donnelly, Mel Levy et al. · The Journal of Chemical Physics · 1978 · 3.3K citations

Electron Density, Engineering, Physics +14