- Author
- Miller, J. H. | Mallard, W. G. | Smyth, K. C.
- Title
- Intermolecular Potential Calculations for Polycyclic Aromatic Hydrocarbons.
- Coporate
- George Washington Univ., Washington, DC
- Journal
- Journal of Physical Chemistry, Vol. 88, No. 21, 4963-4970, October 11, 1984
- Keywords
- hydrocarbons | intermolecular potential
- Abstract
- Methods of calculating the dispersive and overlap parts of the intermolecular potential for polycyclic aromatic hydrocabons of D6h symmetry are examined. A new, semiempirical method is utilized to generate the approximate angle-dependent potentials.