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The phrase "theoretical calculation" is correct and usable in written English.
You can use it to describe when calculations are made or proposed in a theoretical way, as opposed to an actual, physical example. For example, "We performed a theoretical calculation of the coefficient of friction on the surface of the moon."
Exact(60)
The CE for the ideal ABAB graphite stacking, 0.39±0.02 J m−2, is calculated based on a combination of the measured CE and a theoretical calculation.
Theoretical calculation relying on rep theory.
L.Z.L. and X.L.W. analyzed the data, theoretical calculation, and wrote the paper.
Ghosh, D. C. & Biswas, R. Theoretical calculation of absolute radii of atoms and ions.
Verification shows that theoretical calculation agrees well with experimental observation.
The joint is analyzed through FEA and theoretical calculation.
The prepared AlCl3.6H2O showed a 78.8% weight loss which matched the theoretical calculation and Cui et al.25 work.
Whereas Al(NO3 3.9H2O showed 85% weight loss which is comparable to the theoretical calculation by Equation 2 (85.9%).
& Simon, K. Oxygen isotope fractionation in hematite and magnetite: a theoretical calculation and application to geothermometry of metamorphic iron-formations.
The theoretical calculation tallies with the experimental results.
The theoretical calculation clearly demonstrates that the Sr/Fe co-doping in PBC enhances the OER activity on the Fe site, consistent with the electrochemical measurement results.
More suggestions(15)
speculative calculation
theoretical determination
intellectual calculation
academic calculation
theoretical arithmetic
theoretical computation
theoretical computing
abstract calculation
theoretical derivation
notional calculation
theoretical basis
theoretical estimate
theoretical quantification
theoretical calculator
theoretical calculating
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com