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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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A box-counting-based algorithm for computing Shannon entropy in molecular dynamics simulations

Luis Lorenzo1, Ricardo A Mosquera

  • 1Dpto. Química Física, Facultade de Ciencias, Universidade de Vigo, Lagoas-Marcosende s/n, 36200-Vigo, Galicia, Spain.

Journal of Computational Chemistry
|April 1, 2003
PubMed

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