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Showing 1 to 1 of 1 for “"Electron Density Function"”.
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The Creation of Algorithms Designed for Analyzing Periodic Surfaces of Crystals and Mineralogically Important Sites in Molecular Models of Crystals: Understanding the Electron Density Function Through Visual Examinations of the Curvature and Shape of the Equi-Value Laplacian Surfaces
… of equi-value surfaces of the Laplacian of the electron density function in selected molecules. The water molecule, H2O, was studied to demonstrate that these new methods are capable of reproducing known features. The disiloxane molecule, H6Si2O7, was studied because it serves as a model for …