Nonpolar single- and two-ring dipentyl derivatives of p-carboranes and bicyclo[2,2,2]octane have been studied with a molecular dynamics UFF method. The interaction energies between two molecules in four configurations have been evaluated. Then the parameters in the Gay-Berne potential have been determined by comparison with these interaction energies. The clear point data obtained from the mean field approximation are in agreement with the experimental results.

Key words: liquid crystal, clear point, mean field, Gay-Berne potential, molecular mechanics UFF level