Items tagged with chemistry


We just posted a submission to the Maple Application Center that I thought people might be interested in. Mathematics for Chemistry isn't a typical application - it's an e-book, written in Maple by J.F. Ogilvie. It covers both standard mathematics topics chemistry students are expected to know,  such as calculus and linear algebra, as well as chemistry-specific topics like chemical equilbrium, quantum chemistry, and nuclear-magnetic-resonance spectra.

There's lots of interesting content on the Application Center, and the range of topics is always fascinating, but it's not every day I see an entire e-book come across my desk(top)!

If you are interested, you can find it on the Application Center, here: Mathematics for Chemistry


How to express a chemistry equation in prefix expression


I am a Masters of Chemistry student at Leeds University and my project involes producing undirected graphs that look like 2D shapes to represent models of molecules for other student users e.g. if there are 6 atoms it will draw a hexagon shape with each vertices as an atom. It is meant to know what graph to draw by asking them questions in maplet pop-up style windows. To do this I have to ask questions in the pop-up windows like "How many atoms in your molecule?" with a drop down box numbering 2-25 as the possibilities.


The problem I am having is getting Maple to relate the answers to these questions on the maplets to the shape (undirected graph) I want it to draw. It displays the answer in the worksheet as for example; ["12"] but I don't know how to ask maple to recognise this number as meaning anything for making the graph.


Is there anyone who knows about using maplets that could have a chat with me about this?


Thanks! From Megan

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