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Keyword: DFT

Short Communications
Quantum chemical and molecular docking studies of Boron-doped and reduced Graphene Oxide supported nanocomposite

Nanocomposites have attracted great attention due to their outstanding properties compared to bulk materials for many applications in various fields. However, their computational studies for property exploration are still at a stage of infancy. So far very few studies have been attempted to study the quantum chemical parameters of nanocomposites. This article, reports the density […]

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