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

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]

Abstract

Abstract is missing.