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Félix Moncada, Lalita S. Uribe, Jonathan Romero and Andrés Reyes Hydrogen isotope effects on covalent and noncovalent interactions: The case of protonated rare gas clusters International Journal of Quantum Chemistry 113

Article first published online: 14 NOV 2012 | DOI: 10.1002/qua.24360

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Protonated rare gas clusters are typical model systems for solvation by chemically inert rare gas atoms. The nature of the rare gas–hydrogen ion bond in these complexes is of particular interest because it cannot be explained by dispersion interactions alone, as is the case for neutral noble gas clusters. Any particle molecular orbital (APMO)/MP2 theory provides insight on the hydrogen isotope and nuclear quantum effects on the geometry and binding energies of these clusters.

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