Describing chemical bonding in exotic systems through AdNDP analysis

Understanding the electronic structure, chemical bonding, and stability of different boron conformations, and its combinations with other chemical elements such as hydrogen, silicon, aluminum, and transition metals, allows establishing rules and guidelines when theoretically designing molecules that can be useful for different applications. In this chapter, we review how the adaptive natural density partition methodology explains the concepts of chemical bonding in some structurally exotic systems. We highlight the study of chemical bonding in the following topics: small boron hydrides, clusters designed from the concept of electronic transmutation, endohedral BnHn2 − systems, and dynamic behavior of small boron clusters and their mixture with transition metals.