For questions related to chemical concepts such as solving equations related to reaction kinetics, graphically visualizing molecules, and using the chemistry-related curated data sets.

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74 views

Combining separate CHColorStructureDiagrams to form one molecular structure

I am trying to attach a fructose molecule to a sucrose molecule by using information obtained from the following ...
4
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0answers
162 views

random Poisson process over multiple variables (state vector) for chemical kinetics

Has anyone figured out how to coerce ContinuousMarkovProcess to work with a state vector, transition matrix, and rate (propensity) vector, and RandomFunction to return pairs of state vector and time, ...
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0answers
482 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 MA_{\...
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0answers
64 views

Nonlinear coupled equation (heat equation with source term)

I modeled simple chemical reaction-diffusion equation in spherical region $0\le r\le L$ $${\partial T\over\partial t}={{1\over r^2}{\partial\over \partial r}(r^2{\partial T\over \partial r})+qACexp(-...
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31 views

ChemicalData, only index downloaded

I do not have access to internet on my PC , so as in Wolfram's KB, I preloaded ChemicalData from an online PC, and then transferred it to my PC. The problem is only the index got downloaded, so how ...