QUANTA tutor

For two hydrogens, as in Figure 7, ( = 0.195 kcal/mol and ro = 2.376 Å. When looking for close contacts between atoms it is best to use the hard-core Van der Waals radius, (HC . This distance is the point where the Van der Waals potential is zero. ... Hartree-Foch, HF, calculations are even better, especially when MP2 electron-electron ... ................
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