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The results of an ab initio calculation of the H 2-  and the exact values of the H 2  + -binding-energies are compared with MINDO/3 values. The MINDO/3-parameters are then varied to give an optimal fit of the H 2 -energies as functions of nuclear distance.

Notizen:MIND0 /3 -Parameter für die Bindungsenergie von H 2 /MINDO/3-Calculations of the dissociation of H 2