mole of substance. The unit symbol is written kcal/mol or kcal⋅mol−1. As typically measured, one kcal/mol represents a temperature increase of one degree
101.1(4) kcal/mol = 423.0 ± 1.7 kJ/mol = 4.40(2) eV (per bond). To convert a molar BDE to the energy needed to dissociate the bond per molecule, the conversion
nature of the specific donor and acceptor atoms and can vary between 1 and 40 kcal/mol. This makes them somewhat stronger than a van der Waals interaction,
vary from 59–65 kcal/mol to no strength at all. The energy of the biradical state (with no central bond at all) is calculated to be 80 kcal/mol higher. At
quantum chemistry, the quantum theory of atoms in molecules (QTAIM), sometimes referred to as atoms in molecules (AIM), is a model of molecular and condensed