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:
Inspection of Table 4reveals that, unlike the force-field results described in Tables 2and 3, all four semiempirical recipes predict polar conformers 5 and 6 to be the low and "global" minimum energy forms, respectively, when the aqueous solvation continuum model is employed.
Force fields and semiempirical methods applied to Taxol
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.
Faced with a large, poly-polar organic structure and a solvation-equipped semiempirical package, the user is limited by the proposition that the aqueous solvation model might provide the correct global minimum, but that other conformers may or may not be assigned an appropriate relative energy.
Similarly, within a quantum chemical semiempirical framework, charge polarization notwithstanding, conformational energies are sensitive to method and charge distribution.
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