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    Stabilisation of dianion dimers trapped inside cyanostar macrocycles

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    Type
    Article
    Authors
    Azofra, Luis Miguel
    Elguero, Jose
    Alkorta, Ibon
    Date
    2020
    Embargo End Date
    2021-04-21
    Submitted Date
    2020-03-09
    Permanent link to this record
    http://hdl.handle.net/10754/662655
    
    Metadata
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    Abstract
    <p>Interanionic H-bonds (IAHBs) are unfavourable interactions in the gas phase becoming favoured when anions are in solution. Dianion dimers are also susceptible to be trapped inside the cavities of cyanostar...</p>
    Citation
    Azofra, L. M., Elguero, J., & Alkorta, I. (2020). Stabilisation of dianion dimers trapped inside cyanostar macrocycles. Physical Chemistry Chemical Physics. doi:10.1039/d0cp01321h
    Sponsors
    L.M.A. is an ULPGC Postdoc Fellow and thanks Universidad de Las Palmas de Gran Canaria (ULPGC). J.E. and I.A. acknowledge the Ministerio de Ciencia, Innovación y Universidades (PGC2018-094644-B-C22) and Comunidad Autónoma de Madrid (P2018/EMT-4329 AIRTEC-CM) for support. Gratitude is also due to the KAUST Supercomputing Laboratory using the supercomputer Shaheen II and the CTI (CSIC) for providing the computational resources.
    Publisher
    Royal Society of Chemistry (RSC)
    Journal
    Physical Chemistry Chemical Physics
    DOI
    10.1039/d0cp01321h
    Additional Links
    http://pubs.rsc.org/en/Content/ArticleLanding/2020/CP/D0CP01321H
    ae974a485f413a2113503eed53cd6c53
    10.1039/d0cp01321h
    Scopus Count
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