Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 3 of 3 for “"hypervalency"”.
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The electron density : a bridge between exact quantum mechanics and fuzzy chemical concepts
… The question of chemical interest was whether hypervalency is present in the set of molecules or not. In the first case the octet rule would be violated, in the second case Pauling’s verdict would be violated. While the concept of hypervalency is well established in chemistry, the violation of …
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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
… The more recent 3 center-4 electron model of hypervalency is similar to the hybridization model in its limitations, and is subject to the constraints of MO theory. In this dissertation, the nature of the chemical bonding is investigated in a number of different molecules using generalized …
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Electronic response of phosphorus and nitrogen based ligands on metal coordination
Phosphorus and nitrogen containing ligands were examined in terms of their coordination flexibility. Combining these donor atoms of different hardness or softness in one molecule leads to the design of polyfunctional, ambidentate ligand systems with unique properties, because the different features …