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A simple mathematical model for prediction of nitrogen dioxide molecular structure
Author

Gianluca Argentini
Organization: Riello SpA
Department: Research & Development
Revision date

2014-08-04
Description

In this paper it is shown that one can numerically compute the angle between atomic bonds and length bonds in NO2 molecule with a good agreement with experimental data. Lengths and angles are computed using minimization techniques offered by Mathematica.

Paper listed on www.researchgate.net

Computational algorithm based on M. Trott, The Mathematica Guidebook for Numerics, New York, Springer, 2006
Subjects

*Science > Chemistry
*Science > Physics
*Science > Physics > Quantum Physics
Keywords

Nitrogen Dioxide molecule structure, Coulomb Potential, VSEPR Theory
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GArgentini_NO2_molecular_structure_March_2014.pdf (496.2 KB) - PDF Document
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GArgentini NO2 original Mathematica notebook.nb (142.1 KB) - Mathematica Notebook


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