An isotopologue is a type of molecule that differs from another molecule by having different isotopes of one or more of its constituent atoms. Isotopes are variants of the same chemical element that have the same number of protons but different numbers of neutrons, which results in different atomic masses. For example, consider the molecule water (H₂O). The common isotopologue of water consists of two protium isotopes (¹H) and one oxygen isotope (¹⁶O).
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