Accurate correlated calculation of the intermolecular potential surface in the coronene dimer

Molecular Physics

Volumn 108, Issue 3-4, 2010, Pages 249-257

  Janowski, Tomasz ^a   Ford, Alan R ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; BASIS SETS; BASIS-SET LIMITS; BENZENE DIMERS; CARBON ATOMS; CLOSE APPROXIMATION; CORONENE; DIFFUSE FUNCTIONS; HIGH-LEVEL AB INITIO CALCULATIONS; HOMO-LUMO GAPS; HYBRID SCHEME; INTERMOLECULAR POTENTIALS; LATERAL DISPLACEMENTS; MP2 LEVELS; SADDLE POINT;

BENZENE; NUCLEAR ENERGY; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

BINDING ENERGY;

EID: 77951096343     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970903397249     Document Type: Article

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