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The ONIOM(B3PW91:HF) hybrid method has been evaluated for the purposes of modeling butyltin chlorides, XnSnCl4-n (X = n-butyl, sec-butyl, isobutyl, tert-butyl; n = 1, 2, 3). Three different partitioning schemes of a molecule within ONIOM(B3PW91:HF) were taken into account. For each of these partitioning schemes, conformational analyses of the XnSnCl4-n molecules were performed and then several molecular...
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