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Showing 1 to 4 of 4 for “"HYPERVALENT MOLECULES"”.
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Theoretical and computational investigations of the electron and spin correlation in chemical bonds, building a predictive bonding model with generalized valence bond theory
… principles of chemical bonding in various molecules, chemists can make predictions about the structures, energetics, reactivities and other properties of chemical species. The understanding of bonding is also critical to achieving one of the ultimate goals of chemists—the design and control …
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Insights into the chemistry of sulfur-containing molecules
… bonding in a variety of sulfur-containing molecules. We use the resulting insights to rationalize experimental and computational results as well as to make predictions about the structures, energetics and other properties of molecules. Prior work in our group found that a new type of …
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ΜΕΛΕΤΗ ΤΗΣ ΗΛΕΚΤΡΟΝΙΚΗΣ ΔΟΜΗΣ, ΤΗΣ ΓΕΩΜΕΤΡΙΑΣ ΚΑΙ ΤΗΣ ΔΡΑΣΤΙΚΟΤΗΤΑΣ ΥΠΕΡΣΘΕΝΩΝ ΟΡΓΑΝΟΑΛΟΓΟΝΟΥΧΩΝ ΕΝΩΣΕΩΝ
… AND THE PARTICULAR ELECTRONIC EFFECTS OF HYPERVALENT ORGANOHALOGEN COMPOUNDS OF THE FORMULA PHXX'2 WAS EXAMINED AND THEIR ABILITY TO FORM ADDITION PRODUCTS WITH ETHYLENE DOUBLE BONDS VIA A SYNCHRONOUS MOLECULAR ADDITION MECHANISM. THE NATURE OF THE X-X' BONDS WAS ALSO ANALYZED AND VERIFIED …
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The electron density : a bridge between exact quantum mechanics and fuzzy chemical concepts
… of bound atoms in a molecule (as in the Atoms In Molecules theory (AIM) according to Bader or as in the Hirshfeld partitioning scheme) or to the concept of chemical structure in the sense of Lewis structures, which divide the total molecular density into core and valence density, where the valence …