The van der Waals and repulsive contributions to the lattice energies of TTF (C 6 H 4 S 4 ), TCNQ (C 12 H 4 N 4 ) and TTF-TCNQ (C 6 H 4 S 4 .C 12 H 4 N 4 ) at room temperature were calculated by the atom-atom approximation. In addition the Madelung electrostatic contributions were calculated by Ewald's method for TTF and TCNQ. The combined atom-atom and electrostatic contributions produced lattice energies in accordance with the experimental enthalpies of sublimation and dissociation within 0-5 kcal mol -1 .
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H.A.J. Govers (1978) studied this question.