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Titulo: Directed Network Topological Indices for van der Waals complexes based on Coupled Cluster Interaction Energies
Tipo: capitulo internacional
Fecha: 2010
ISBN: 978-81-7895-489-9
Libro: Topological Indices for Medicinal Chemistry, Biology, Parasitology, and Social Networks
Editorial: Research Signpost
Kerala, India (Aceptado y Pendiente de Publicacion)


The theoretical study of van der Waals interactions by transforming the ab initio Coupled Cluster interaction energies of Ne-Ar, N2-Ar, acetylene-Ar, cyclopropane-Ar and fluorobenzene-Ar in complex networks is proposed. The topics include the general topology, the local structure (triadic census), the node degree distribution, and the shortest van der Waals dissociation paths. In addition, each real network is compared with a Barabasi–Albert network, a Kleinberg small world network, a 2D lattice network, an Erdos–Renyi network, and an Epsstein power law network. These results can originate future studies on van der Waals complex creation and stability, or on evaluation models for physical properties.

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