Part 5: Let the Computation Begin!

Aymen B -

After weeks of determining and gathering various cannabinoid and cyclodextrin solutions, we can finally begin looking at our spectroscopy graphs and chemical interactions in computational simulations. We are planning on using Gaussview, a graphical interface system, to visualize some of the chemical interactions within our solutions that can give us a visual representation of why some of our solutions were more soluble within one another. Thermodynamics, chemical diagrams, and more aspects of chirality are some of the properties that we hope to observe and reason with within the diagrams. By observing this visual representation of the interactions in our solution, we can more easily observe the differences between our solutions and the reasons behind those differences than in a spectroscopy graph. From there, we plan to run different computational conditions on these solutions based on what chemical characteristics impact our solution’s properties the most. This week, I hope to become more familiar with the computational commands and Gaussview software

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Comments:

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    johanna_p
    Hi Aymen. It's interesting to see the types of software technology or tools used like Gaussview, chemical diagrams, and thermodynamics. You said that you hope to become more familiar with the computational commands of the Gaussview software. What difficulties or obstacles have you faced so far with using that type of software?
    camillebennett
    Hi Aymen! Sounds like you are making progress. What is a spectroscopy graph? Would love to hear more!
    David Cortez Jr
    Hello!, W project. What is CBD?
    Aditya G
    Hey aymen, I was wondering what inspired you to choose CBD as a topic?

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