[Ann applied to the prediction of vibration frequencies of octahedral modes (v1 and v2) of MX6(n-) ions (X = F, Cl, Br, I)].
Artificial neural networks back-propagation algorithm was applied to the prediction of vibration frequencies of v1 and v2 modes of octahedral hexahalide (MX6(n-)). Three-layer networks with one and two output nodes were used. Two inertia terms and training step controlling scheme were adopted to weights adjustment. The result of one output node networks has little difference from that of two output nodes networks. The frequencies of [Mof6]2-, [BiF6]- and [AuF6]- from literature are a great deal different from those calculated or predicted values.
Lü
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Department of Chemistry, Henan Normal University, 453002 Xinxiang.
Wei
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X
Chen
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