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Browsing by Author "Matta, Cherif F."
Now showing items 1-6 of 6
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(Halifax, N.S. : Saint Mary's University, 2016)A matrix is constructed where the vertices (atoms) are connected by edges (bonds) resulting in a square matrix that is symmetrical. The localization index (unshared electrons) occupies the long diagonal where the delocalization ...
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(American Institute of Physics, 2013-10-14)It is shown that the response of molecular properties of diatomics such as the total energy, the bond length, and the vibrational Stark shift to an external homogenous electric field (EF) can be predicted from field-free ...
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(Halifax, N.S. : Saint Mary's University, 2013)This thesis consists of three quantum chemical investigations. The first investigates the changes in the chemical bond in strong electric fields, a necessary first step for understanding the behaviour of a substrates or ...
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(International Union of Crystallography, 2014-11)This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares ...
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(American Institute of Physics, 2014-07-21)There is no abstract available for this article.
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(International Union of Crystallography, 2015-03)Professor Dunitz questions the usefulness of ascribing crystalline structural stability to individual atom–atom intermolecular interactions viewed as bonding (hence stabilizing) whenever linked by a bond path. An alternative ...
Now showing items 1-6 of 6