Theoretical and computational investigation of meta-phenylene as ferromagnetic coupler in nitronyl nitroxide diradicals

Nucleus-Independent Chemical Shifts:  A Simple and Efficient Aromaticity Probe

Paul von Ragué Schleyer, Christoph Maerker, Alk Dransfeld et al. · Journal of the American Chemical Society · 1996 · 6.2K citations

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Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane

Kenneth B. Wiberg · Tetrahedron · 1968 · 4.4K citations

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Electronegativity: The density functional viewpoint

Robert G. Parr, Robert A. Donnelly, Mel Levy et al. · The Journal of Chemical Physics · 1978 · 3.4K citations

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Valence bond description of antiferromagnetic coupling in transition metal dimers

Louis Noodleman · The Journal of Chemical Physics · 1981 · 2.5K citations

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Orbital interactions in metal dimer complexes

P. Jeffrey Hay, Jack C. Thibeault, Roald Hoffmann · Journal of the American Chemical Society · 1975 · 1.3K citations

Natural Sciences, Chemistry, Inorganic Chemistry +15