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. 2026 Jul 30;130(32):6444–6451. doi: 10.1021/acs.jpca.6c01739

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Dissociation profile of H2 +. Left panel: Dissociation energy curves obtained by using different functionals. Right panel: Energy versus fractional charges for the H2 + system, with one hydrogen occupation on the top axis indicating the transition from H+ to H and another hydrogen occupation on the bottom axis indicating the transition from H to H+.