Convex-concave stacking of curved conjugated networks: Benchmark calculations on the corannulene dimer

Chemical Physics Letters

Volumn 512, Issue 4-6, 2011, Pages 155-160

  Janowski, Tomasz ^a   Pulay, Peter ^a   Sasith Karunarathna, A A ^b   Sygula, Andrzej ^b   Saebø, Svein ^b  

^a UNIVERSITY OF ARKANSAS   (United States)

^b MISSISSIPPI STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BENCHMARK CALCULATIONS; CCSD; CONJUGATED NETWORK; CORANNULENE; FUNCTIONALS; HIGH-LEVEL AB INITIO CALCULATIONS; MINIMUM ENERGY; SINGLE-POINT CALCULATIONS;

CALCULATIONS; DIMERS; MONOMERS; POTENTIAL ENERGY;

BINDING ENERGY;

EID: 80051795266     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.07.030     Document Type: Article

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