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Author Topic: Acceptable relative error in bond length calculations  (Read 239 times)

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dolphinsea14

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Acceptable relative error in bond length calculations
« on: February 26, 2019, 12:47:44 PM »

What relative error is acceptable for bond length calculations using semi-empirical methods in Hyperchem?
I did calculations for a compound and compared the results from the calculations with the experimental results and got about 7% relative error? Is that much, are results accurate enough? Bond lengths are in Angstrems (e.g. 1.436)
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