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    I once read about N8 cube molecule. Calculations predicted its existence, but was it already synthesized? I can't find enough data on the Internet, but I would like to use it as an example in my assignment.

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    (Original post by Prested)
    I once read about N8 cube molecule. Calculations predicted its existence, but was it already synthesized? I can't find enough data on the Internet, but I would like to use it as an example in my assignment.
    The molecule you're referring to is called octaazacubane. I've done a journal search and can only find references to theoretical studies of it and no actual syntheses. The expectation that it would make an extremely powerful explosive might be putting some people off....
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    Thank you for the answer, That's what I was looking for. I'll still need to look for an example of molecule/compound that was predicted using theoretical chemistry and then synthesized though. Nevertheless, thanks for making this clear.
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    (Original post by Prested)
    Thank you for the answer, That's what I was looking for. I'll still need to look for an example of molecule/compound that was predicted using theoretical chemistry and then synthesized though. Nevertheless, thanks for making this clear.
    I think that's what the fullerenes nobel prize was awarded for (predicted then later found in nature)
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    I'll scrutinize this idea ASAP . I wasn't aware they were found thanks to the calculations made earlier.
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    (Original post by BJack)
    The expectation that it would make an extremely powerful explosive might be putting some people off....
    I am sure it puts some other people on
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    (Original post by Prested)
    Thank you for the answer, That's what I was looking for. I'll still need to look for an example of molecule/compound that was predicted using theoretical chemistry and then synthesized though. Nevertheless, thanks for making this clear.
    To keep with the explosive theme: http://en.wikipedia.org/wiki/Octanitrocubane
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    I did read about this molecule, wasn't sure about the theoretical chem. application here. Thanks.
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    (Original post by Prested)
    Thank you for the answer, That's what I was looking for. I'll still need to look for an example of molecule/compound that was predicted using theoretical chemistry and then synthesized though. Nevertheless, thanks for making this clear.
    If you count computational calculations, modelling enzyme active sites will predict the size and shape of any inhibitor that can be synthesised. It's relatively new, so there may not be much around, but may be worth taking a peek into
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    Yeah, after all it is a substantial part of theoretical chemistry, I guess (and thus it is sometimes separated). I will do take it into consideration. Thank you.
 
 
 

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