An atomic surface site interaction point description of non-covalent interactions
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Peer-reviewed
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Abstract
Atomic interaction points provide a comprehensive description of the non-covalent interaction properties of organic compounds and can be used to predict free energy contributions to intermolecular complexation including the effects of desolvation.
Description
Acknowledgements: The authors would like to thank the Engineering and Physical Sciences Research Council (EP/S024220/1) and the Herchel Smith Fund for funding.
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Journal Title
Chemical Science
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Journal ISSN
2041-6520
2041-6539
2041-6539
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Publisher
Royal Society of Chemistry (RSC)
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Except where otherwised noted, this item's license is described as Attribution 3.0 International
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Engineering and Physical Sciences Research Council (EP/S024220/1)