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Lithium ions solvated in helium
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Number of Authors: 132018 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, no 40, p. 25569-25576Article in journal (Refereed) Published
Abstract [en]

We report on a combined experimental and theoretical study of Li+ ions solvated by up to 50 He atoms. The experiments show clear enhanced abundances associated with HenLi+ clusters where n = 2, 6, 8, and 14. We find that classical methods, e.g. basin-hopping (BH), give results that qualitatively agree with quantum mechanical methods such as path integral Monte Carlo, diffusion Monte Carlo and quantum free energy, regarding both energies and the solvation structures that are formed. The theory identifies particularly stable structures for n = 4, 6 and 8 which line up with some of the most abundant features in the experiments.

Place, publisher, year, edition, pages
2018. Vol. 20, no 40, p. 25569-25576
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Chemical Sciences Physical Sciences
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URN: urn:nbn:se:su:diva-161912DOI: 10.1039/c8cp04522dISI: 000448345800001PubMedID: 30112553OAI: oai:DiVA.org:su-161912DiVA, id: diva2:1262887
Available from: 2018-11-13 Created: 2018-11-13 Last updated: 2018-11-13Bibliographically approved

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de Tudela, Ricardo PerezBartolomei, MassimilianoCampos-Martinez, JoseBreton, JoseScheier, PaulGatchell, Michael
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