Words similar to semiempirical
Example sentences for: semiempirical
How can you use “semiempirical” in a sentence? Here are some example sentences to help you improve your vocabulary:
The remaining semiempirical methods predict the empirically verified nonplar conformers 1 and 2 to be unobservable in the chlorocarbon solvent with energies ranging from 3.8 to 6.9 kcal/mol above the polar collapsed conformation.
Force fields and semiempirical methods applied to Taxol
Similarly, within a quantum chemical semiempirical framework, charge polarization notwithstanding, conformational energies are sensitive to method and charge distribution.
The two semiempirical methods each locate 2-6 conformations with energies no more than 2.5 kcal/mol above the lowest, but none of the calculations selects the same set of low energy conformers.
For Taxol, application of commonly applied force fields as well as the semiempirical methods AM1 and PM3 results in an ordering of conformational energies that is method dependent and mostly inconsistent with experimental data.
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