**5. Conclusions**

In this chapter is presented how the energetic, electronic and reactivity of can be calculated for 1D nanomaterial's, such as, carbon nanoribbons. Although the carbon nanoribbons are used as case of study, this methodology can be applied for other kind of chemical compositions, in our experience we have explore the reactivity and stability of doped boron nitride at nanoscale. It is worthy to mention that, the evaluation of Fukui functions in periodic boundary conditions is limited in the usual computational approaches, so that, we suggest to support and compare such analysis with others e. g., charge analysis, global reactivity descriptors depending the nature of the involving chemical species.
