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We made use of the M MX force field as implemented in the program PC Model, Serena Software, Bloomington, IN. See also, JAI press: Greenwich, As no particular parameters were available for sulfoxides those of default were employed. The barriers were computed by driving the Ar−SO torsion angle in 2° steps in the proximity of 0° and 180° and allowing the other angles and bond distances to relax to their minima for each fixed values of the torsion angle
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We made use of the M MX force field as implemented in the program PC Model, Serena Software, Bloomington, IN. See also: Gajewski, J.J.; Gilbert, K.K.; McKelvey, J. Advances in Molecular Modelling; JAI press: Greenwich, 1992; Vol. 2. As no particular parameters were available for sulfoxides those of default were employed. The barriers were computed by driving the Ar−SO torsion angle in 2° steps in the proximity of 0° and 180° and allowing the other angles and bond distances to relax to their minima for each fixed values of the torsion angle.
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