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Specialty Chemistry Forums => Chemical Engineering Forum => Topic started by: dolphinsea14 on February 26, 2019, 06:47:44 PM

Title: Acceptable relative error in bond length calculations
Post by: dolphinsea14 on February 26, 2019, 06:47:44 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)