1. Does the calculation of the adsorption energy result indicate whether the heat is absorbed or released when the bond is formed?
2. In dmol3, how can desorption be calculated? How to analyze the electrostatic potential energy diagram? How to analyze the charge density map?
3. How to determine whether the hybrid orbital has been formed from the parameters such as determining the density of states, charge density map, bond length, etc.?

thankyou!