Evaluation of the Hartree-Fock Dispersion (HFD) Model as a Practical Tool for Probing Intermodular Potentials of Small Aromatic Clusters: Comparison of the HFD and MP2 Intermodular Potentials

Journal of Physical Chemistry A

Volumn 107, Issue 47, 2003, Pages 10105-10110

  Gonzalez, Carlos ^a   Lim, Edward C ^b  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b UNIVERSITY OF AKRON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC CLUSTERS; ENERGY STRUCTURES; INTERACTION ENERGIES; INTERMOLECULAR POTENTIALS; INTERMOLECULAR SEPARATIONS;

BENZENE; BINDING ENERGY; DIMERS; ELECTRON ENERGY LEVELS; GRAPHITE; MONOMERS; NAPHTHALENE; POLYCYCLIC AROMATIC HYDROCARBONS; STRUCTURE (COMPOSITION); VAN DER WAALS FORCES;

MOLECULAR DYNAMICS;

EID: 0344553264     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030587e     Document Type: Article

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