Gradient bundle analysis: a full topological approach to chemical bonding
The "chemical bond" is a central concept in molecular sciences, but there is no consensus as to what a bond actually is. Therefore, a variety of bonding models have been developed, each defining the structure of molecules in a different manner with the goal of explaining and predicting chemical properties. While many twentieth century bonding models provide useful information for a variety of chemical systems, these models are sometimes less insightful for more lofty goals such as designing metalloenzymes. The design process of novel catalysts could be improved if more predictive and accurate ...
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