Global Potentials for the Interaction between Rare Gases and Graphene-Based Surfaces: An Atom–Bond Pairwise Additive Representation
Author:
Affiliation:
1. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas (IFF-CSIC), Serrano 123, 28006 Madrid, Spain
2. Dipartimento di Chimica, Università di Perugia, Perugia, Italia
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/jp401635t
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4. Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
5. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
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