Mathematical Chemistry

Discussion in 'Chemistry' started by Write4U, Apr 17, 2021.

  1. Write4U Valued Senior Member

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    17,580
    Mathematical chemistry
    The basic models for mathematical chemistry are molecular graph and topological index.

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    Molecular structure of caffeine.

    https://en.wikipedia.org/wiki/Molecular_graph

    Chemical graph generator

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    Overlapping substructures of caffeine.
    Two substructures of a caffeine molecule are given, (A) and (B). The overlap of these substructures is highlighted in green in the caffeine structure (C).


    https://en.wikipedia.org/wiki/Chemical_graph_generator

    More in microtubule thread....

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    Last edited: Apr 17, 2021
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  3. exchemist Valued Senior Member

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    There is no mathematics here.

    The International Academy of Mathematical Chemistry looks, from its website, here: http://iamc-online.org/who_we_are/index.htm, like a crank set-up, complete with paranoia about the "Establishment". It seems to have done nothing since its foundation: no courses, no publications, no records of papers presented at conferences, nothing. The website also has the usual riot of fonts and colours characteristic of crank websites - clearly not a professional design.

    My guess is Write4U decided to trawl the internet and post whatever random shit he came up with - and then give a gratuitous plug for his crank thread on microtubules.

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    (If you want to see what real mathematical chemistry looks like, you could look at these, by my old tutor in maths for chemists:https://www.researchgate.net/scientific-contributions/R-B-Mallion-71811297

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    )
     
    Last edited: Apr 17, 2021
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  5. Write4U Valued Senior Member

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    Thanks for checking this out.
    Seems to have paid off, indirectly. Found a goldmine of information about microtubules on ResearchGate.
    I did and found very similar examples of mathematical chemistry as I quoted from the "crank" website.

    Here is an example from the ResearchGate link.

    Figure - available from: Journal of Mathematical Chemistry

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    Left: Azulene with 10 π-electron conjugated circuit, Right: Derivative of dicyclopenta[a,e]cyclooctene with 14 π-electron conjugated circuit

    https://www.researchgate.net/figure...ed-circuit-Right-Derivative-of_fig1_327796721
     
    Last edited: Apr 17, 2021
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  7. Beaconator Valued Senior Member

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    Write for you is a girl
     

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