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The structural stability of 4,4′-methylenedianiline (MDA), 4,4′-methylenebis(N,N-dimethylaniline) (MBDMA) and their parent diphenylmethane (DPM) was investigated by the DFT-B3LYP and ab initio MP2 calculations with the 6-311G ** basis set. From the calculations the three diphenylmethanes were predicted to exist predominantly in a non-planar structure with a near C 2 molecular symmetry...
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