Abstract

By representing molecules as vectors whose components are their nuclear charges, a theorem that allows to order Born-Oppenheimer energies of sets of isoprotonic-isoelectronic molecules is stated. Upper and lower bounds for these sets are derived, along with other general energy inequalities involving homonuclear systems and molecules with common molecular fragments. These inequalities imply that the sets of molecules under consideration are endowed with the structure of a partially ordered set (POSET). Some properties related to this structure are discussed.

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