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The hypersurfaces of the dendrimer branches were first calculated separately by using the MM+ force field method and the Fletcher- Reeves algorithm until a global minimum was evaluated. In the next step, they were attached to the separately minimized core molecule, and the geometry of the complete molecule was calculated again with the MM+ force field and the Fletcher-Reeves algorithm. Because the hypersurfaces generally obtained for more complex dendrimers were fairly flat, the three-dimensional structures presented here are one of several possible local minima. However, these structures were found to be sufficient to evaluate the dimension of the molecules.
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The hypersurfaces of the dendrimer branches were first calculated separately by using the MM+ force field method and the "Fletcher- Reeves" algorithm until a global minimum was evaluated. In the next step, they were attached to the separately minimized core molecule, and the geometry of the complete molecule was calculated again with the MM+ force field and the "Fletcher-Reeves" algorithm. Because the hypersurfaces generally obtained for more complex dendrimers were fairly flat, the three-dimensional structures presented here are one of several possible local minima. However, these structures were found to be sufficient to evaluate the dimension of the molecules.
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The dendrimer densities were calculated by dividing the molecular mass by the determined from the radius given by the molecular mechanics calculation
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