Molecular interaction energies and optimal configuration of a cubane dimer

International Journal of Quantum Chemistry

Volumn 110, Issue 5, 2010, Pages 1063-1069

  Nikolaev, Alexander V ^a   Verberck, Bart ^b   Ionova, Galina V ^a  

^a FRUMKIN INSTITUTE OF PHYSICAL CHEMISTRY AND ELECTROCHEMISTRY   (Russian Federation)

^b UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Cubane dimer; MP2 calculations; Optimal orientation

Indexed keywords

ANTIBONDING; BOUND STATE; CENTERS-OF-MASS; EXPERIMENTAL DATA; HARTREE-FOCK; HYDROGEN ATOMS; INTERMOLECULAR DISTANCE; MOLECULAR BASIS; MOLECULAR CORRELATIONS; MOLECULAR INTERACTION ENERGY; MP2 CALCULATIONS; MUTUAL ORIENTATION; OPTIMAL CONFIGURATIONS; OPTIMAL ORIENTATION; OPTIMAL PACKING; SECOND ORDERS; STANDARD ORIENTATIONS;

BINDING ENERGY; MONOMERS; NUCLEAR ENERGY; OPTIMIZATION; POTENTIAL ENERGY;

MOLECULAR ORIENTATION;

EID: 76649086673     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22073     Document Type: Article

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