Computed structure of small benzene clusters

B.W. van de Waal

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Abstract

The structures of small benzene clusters (C6H6)n, n = 2–7, have been calculated employing potential-energy minimization with respect to molecular translational and rotational coordinates, using exp-6-1 non-bonded atom-atom potential functions. The influence of the adopted point-charge model is discussed for the dimer structure.
Original languageUndefined
Pages (from-to)69-72
JournalChemical physics letters
Volume123
Issue number1-2
DOIs
Publication statusPublished - 1986

Keywords

  • IR-69698

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