December 13, 2019, 08:30:30 AM
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Topic: What does it mean when your molecule has 45,000 KJ/mol UFF Max?  (Read 253 times)

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Offline d0_0b

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What does it mean when your molecule has 45,000 KJ/mol UFF Max?
« on: November 09, 2019, 03:01:05 PM »
I was able to run my first UFF and I’m a little lost. I know it’s a force field of the molecule, but do I need to find the molar mass of the molecule to find the actual KJ/Molecule or like...what does it actually mean. I keep looking online for information about it but I need someone to explain it to me basic terms please, as all I’ve found are tables of numbers relating to other’s experiments.

Thanks.

For context I originally ran my set up without adding in insulators and got 37k, broke 4 of the single paired bonds and replaced them with the insulators and got this instead, meaning either I’m farther from my target or improved it but I have no clue which.

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