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Quantum similarity of atoms: a numerical Hartree–Fock and Information Theory approach

Alex Borgoo, Michel Godefroid, K. D. Sen, Frank De Proft, Paul Geerlings

Chemical Physics Letters · 2004 · 75 citations · 23 references

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23

On Information and Sufficiency

S. Kullback, R. A. Leibler · The Annals of Mathematical Statistics · 1951 · 20K citations · Full text

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Information theory and statistics

Journal of the Franklin Institute · 1959 · 7.2K citations

, , +12

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

, , +14

An Interpretation of Bond Lengths and a Classification of Bonds

R. T. Sanderson · Science · 1951 · 804 citations

, , +9

How similar is a molecule to another? An electron density measure of similarity between two molecular structures

Ramon Carbó‐Dorca, Luis Leyda, Mariano Arnau · International Journal of Quantum Chemistry · 1980 · 695 citations

, , +14