most citedStructure and electronic structure of Metal-Organic Frameworks within the Density-Functional based Tight-Binding method

57 citations · 57 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2011★ 57 cited

Structure and electronic structure of Metal-Organic Frameworks within the Density-Functional based Tight-Binding method

Binit Lukose, Barbara Supronowicz, Petko St. Petkov +5

Density-functional based tight-binding is a powerful method to describe large molecules and materials. Metal-Organic Frameworks (MOFs), materials with interesting catalytic propert…