Name: Systematic DFT Modeling van der Waals Heterostructures from a Complete Configurational Basis Applied to γ-PC/WS2
Creator: EU Open Research Repository

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See the paper: Celis, J.; Cao, W. J. Chem. Theory Comput. 2024, 20, 6, 2377-2389

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Systematic DFT Modeling van der Waals Heterostructures from a Complete Configurational Basis Applied to γ-PC/WS2

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