Figure 14
From: Competitive adsorption of CO2, N2, and CH4 in coal-derived asphaltenes, a computational study
Three-dimensional representation of the analysis of non-covalent interactions (NCI) for CO\(_2\) adsorption on PA3C, PA3S, PA3N, and PA3O at the 6-31+G(d,p) level of theory, illustrating van der Waals interactions. Diagrams were created using isosurfaces with RDG 0.6 au. The colors are marked from -0.05 < (sign \(\lambda _2\))\(\rho\) < 0.05 au.
