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. 2015 Aug 14;5:12877. doi: 10.1038/srep12877

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Copyright © 2015, Macmillan Publishers Limited

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(a) Potential energy surfaces (PESs) in the ethylene dication (lower) and trication (upper) calculated by GAMESS as described in the text for the stretch motion of two C-H bonds marked by r₁ and r₂ in (b). (b) Schematics of the geometry used for the calculation of the PESs shown in (a). See text for details. (c,d) Simulated probability for fragmentation of into two (c) and three (d) moieties along the reactions (1) and (7), respectively, as a function of delay between the second and third ionization step.

Inline graphic — (a) Potential energy surfaces (PESs) in the ethylene dication (lower) and trication (upper) calculated by GAMESS as described in the text for the stretch motion of two C-H bonds marked by r₁ and r₂ in (b). (b) Schematics of the geometry used for the calculation of the PESs shown in (a). See text for details. (c,d) Simulated probability for fragmentation of into two (c) and three (d) moieties along the reactions (1) and (7), respectively, as a function of delay between the second and third ionization step.