Ab Initio Study of Interlayer Interaction of Graphite: Benzene−Coronene and Coronene Dimer Two-layer Models
Author:
Affiliation:
1. Department of Chemistry, University of Joensuu, P.O. Box 111, FIN-80101 Joensuu, Finland
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp011512i
Reference26 articles.
1. Ab initio molecular orbital calculation on graphite: Selection of molecular system and model chemistry
2. Cluster models for lithium intercalated graphite: electronic structures and energetics
3. A quantitative study of the scaling properties of the Hartree–Fock method
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