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The calculated DLVO (Derjaguin Landau Verwey Overbeek) interaction energy profiles, using experimentally determined values of Hamaker constant, adequately support the experimental observations.
Quantum chemical studies support the experimental results.
DFT calculations support the experimental results.
We also carried out simulations to support the experimental results.
The activation parameter values support the experimental k2-values.
Theoretical heat transfer calculations support the experimental measurements.
First principles calculations were used to support the experimental data.
Theoretical analysis and FE simulation support the experimental results.
SEM and AFM study was carried out to support the experimental inhibition data.
Numerical modeling was used to better interpret and support the experimental results.
Molecular orbital calculations and DFT calculations of IR spectra support the experimental results.
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