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Quantitative results from a 6-31G basis

Apparently there are no experimental data on BeNe. If we fit a Morse function to the parameters we obtain for the dissociation curve, it is estimated that there would be 14-15 bound vibrational states for this Van der Waals molecule. Thus, VB theory predicts the existence of stable gaseous BeNe, if it is cold enough, since Dg is only 2kT for room temperature. [Pg.173]

As stated above, we consider the dipole moments of the heteronuclear molecules in the next section, but we give in Table 12.14 the dipole moments at the equilibrium geometry and determined with the 6-3 IG basis. [Pg.173]


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Quantitation Results

Quantitative result

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