Free binding energy second

Besides the abrupt change of binding energy, Detmer et al. have observed the development of a second minimum at large R which has no counterpart in the held-free space [26]. This additional minimum becomes more pronounced when the magnetic held increases to 1.0 a.u. The further increase in the held starts to diminish the potential well. The minimum eventually vanishes when the held is greater than 50.0 a.u. The calculated PEC of the a state in the present study... 

Table I presents the geometrical optimization results and corresponding binding energies of the different free and adsorbed on graphene H2-Pd structures. The most stable free system is I, while the second maximum corresponds to the structure III. The nearly linear IV state has a considerable lower energy, so it is extremely unstable. Similar geometrical parameters and energies have been found by Efremenko et al. using the DFT program Gaussian94 [10].

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