On the formation of the formate anion: Insights from population analyses

A theoretical analysis of atomic charge fluxes in chlorofluoromethanes and relationship with bonding character descriptors

“…Conversely, although the understanding of electronic cloud changes is also fundamental in, e.g., reaction coordinate 21,22 and halogen-bonding interaction [23][24][25][26] studies, there is still a lack of deeper and more explicit investigations about these charge transfers in a representative group of molecules.…”