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Estimation of cross sections for molecule-cluster interactions by using artificial neural networks

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Date

2006

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Springer

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Abstract

The cross sections Of D(2) (v,j) + Ni(n) (T), n = 19 and 20, collision systems have been estimated by using Artificial Neural Networks (ANNs). For training, previously determined cross section values via molecular dynamics simulation have been used. The performance of the ANNs for predicting any quantities in molecule-cluster interaction has been investigated. Effects of the temperature of the clusters and the rovibrational states of the molecule are analyzed. The results are in good agreement with previous studies.

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Keywords

Artificial Neural Networks, Molecular Dynamics, Clusters, Reactivity

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Citation

Böyükata, M., Koçyiğit, Y., Güvenç, Z.B. (2006). Estimation of cross sections for molecule-cluster interactions by using artificial neural networks. Brazilian Journal of Physics, 36(3A), 730-735

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Brazilian Journal of Physics

Volume

36

Issue

3A

Start Page

730

End Page

735
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