A benchmark quantum chemical study of the stacking interaction between larger polycondensed aromatic hydrocarbons

Theoretical Chemistry Accounts

Volumn 130, Issue 2-3, 2011, Pages 419-427

  Janowski, Tomasz ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

Circumcoronene; Coronene; Coupled cluster and quadratic configuration interaction; Dispersion; Electrostatic models of dispersion; Exfoliation energy of graphite; Graphene; Perturbative triples correction; pi pi interactions; SCS MP2; Sliding of graphene sheets over each other

Indexed keywords

EID: 81555203411     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-1009-6     Document Type: Article

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