Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devices - researchr publication authors

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Alireza Azizi, Roya Momen, Herbert Früchtl, Tanja Van Mourik, Steven R. Kirk, Samantha Jenkins. Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devices. Journal of Computational Chemistry, 41(9):913-921, 2020. [doi]

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