Cs. Pomelli et al., A symmetry adapted tessellation of the GEPOL surface: Applications to molecular properties in solution, J COMPUT CH, 22(12), 2001, pp. 1262-1272
A procedure to partition the GEPOL molecular surface into tesserae that res
pects the molecular symmetry constraints is presented. Using this method it
is possible to build a solvent reaction field for the Polarizable Continuu
m Model with the same symmetry of the nuclear potential. Several applicatio
ns are reported and discussed to evaluate the performance of this new proce
dure. (C) 2001 John Wiley & Sons, Inc.