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MathSource Reviews: Explosive Molecular Graphics

Matthew M. Thomas
Organization: Boeing Phantom Works
Journal / Anthology

Mathematica in Education and Research
Year: 1998
Volume: 7
Issue: 2
Page range: 42-47

Your reviewer ... endeavors to examine tools useful primarily to chemists in this MathSource review. The tools of note illustrate the structure of chemical compounds, and they are of greater interest to the chemist because the chemist has direct responsibility for putting them together and breaking them apart. Of course, they should also be of interest to undergraduate organic chemistry students, be they bound for degrees in chemistry or in chemical engineering. Many such tools exist, but for this review, we'll look at two of them - one from MathSource, one not. The molecular visualization package from MathSource is MolecularGraphics.m; that not from MathSource is RasMol. In the following sections, we describe RasMol, describe MolecularGraphics.m, put both to use in illustrating the aforementioned TNT molecule, and finally summarize our findings in regard to these programs.

*Science > Chemistry
Related items

*Molecular Graphics Package 1.1   [in MathSource: Packages and Programs]
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Review72.nb (910.6 KB) - Mathematica Notebook