Search Results - "Baekelandt, B. G."

Probing the reactivity of different sites within a molecule or solid by direct computation of molecular sensitivities via an extension of the electronegativity equalization method by Baekelandt, Bart G, Mortier, Wilfried J, Lievens, Jan L, Schoonheydt, Robert A

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Mapping between Electron Population and Vibrational Normal Modes within the Charge Sensitivity Analysis by Baekelandt, B. G., Janssens, G. O. A., Toufar, H., Mortier, W. J., Schoonheydt, R. A., Nalewajski, R. F.

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Comparison of Cluster and Infinite Crystal Calculations on Zeolites with the Electronegativity Equalization Method (EEM) by Janssens, Geert O. A, Baekelandt, Bart G, Toufar, Helge, Mortier, Wilfried J, Schoonheydt, Robert A

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Investigation of Supramolecular Systems by a Combination of the Electronegativity Equalization Method and a Monte Carlo Simulation Technique by Toufar, Helge, Baekelandt, Bart G, Janssens, Geert O. A, Mortier, Wilfried J, Schoonheydt, Robert A

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