Frequently Asked Question

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Diamagnetic corrections formula

Accepted Answer

Diamagnetic corrections are applied to account for the diamagnetic susceptibility of the atoms in a molecule. The formula for the diamagnetic correction is often derived using the Pascal's constants, which are empirical values for the diamagnetic contribution of different atoms and functional groups. The specific formula can vary depending on the molecule and the desired level of accuracy. Please provide more information about the specific molecule or chemical environment you are interested in, and I can help you determine the appropriate diamagnetic correction formula.


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