What is it about?
Thanks to a novel technique for partitioning the electron-charge redistribution upon chemical interactions, concurrent charge flows in complex interactions such as those arising in DNA base pairing can be disentangled and quantitatively characterized.
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Why is it important?
This permits a clear-cut and thorough quantitative characterization of charge-transfer aspects in terms of suitably defined directional charge-flow profiles, providing a deeper understanding of intermolecular interaction mechanisms and thus fostering advances in biological and industrial chemistry.
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This page is a summary of: Local charge-displacement analysis: Targeting local charge-flows in complex intermolecular interactions, The Journal of Chemical Physics, August 2022, American Institute of Physics,
DOI: 10.1063/5.0095142.
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