The chemistry tag has no wiki summary.
4
votes
1answer
61 views
How can I access the internal function that plots a molecule from a formatted XYZ file?
Mathematica has the ability to plot a molecule using the data contained in an XYZ file. This is a simple text file, of which this is an example.
The molecule is plotted using the Import command. ...
1
vote
2answers
154 views
Using Chemical Data to make molecule graphics
I would like to take the acetone and chloroform molecules that Mathematica's chemical data provides, and plot them together. I want to show how chloroform can hydrogen bond to acetone. Right now I ...
1
vote
2answers
53 views
How to construct a new list made from a function that operates on two lists
I need to take two lists (each list contains the number of moles of a chemical). I have a function calledFraction that takes the each entry of the list and then calculates the mole fraction of ...
3
votes
3answers
164 views
How to deal with units in logarithms?
I'm trying to take a formula, take it's integral which yields a formula with logarithms, and then directly plug in values with units and get an answer. However if the units go into any of the ...
-3
votes
1answer
380 views
How can Mathematica solve this set of differential equations? [closed]
I'm trying to solve this set of non linear differential equations, but apparently it won't solve. I really tried all the tweaks I could think of. Still no progress... So now I turn to you, can you ...
1
vote
1answer
102 views
Exporting as .PDB extension
I am working with the 3-D coordinates of proteins. The file format I import and modify coordinates of is in the .PDB format, and the string to import is also in this same format. Currently, when I try ...
2
votes
0answers
194 views
Generating a function which outputs possible chemical reactions
I want to make a list of chemical reactions and I write them down in a $\require{mhchem}\LaTeX$ format. They are of the following form
$$NA_n^i+MB_m^j \rightarrow \hat NA_{\hat n}^{\hat i}+\hat ...
12
votes
1answer
215 views
Find elements in a decay chain using IsotopeData
I am trying to write a program using the Mathematica function IsotopeData, but am finding the code troublesome. Due to my (relative) familiarity with Python, I am ...
