- 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.