Example sentences for: semiempirical

How can you use “semiempirical” in a sentence? Here are some example sentences to help you improve your vocabulary:

  • 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.

  • 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.

  • 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.

  • The structures were also fully optimized with the AM1 and PM3 semiempirical methods [ 22 ] and supplemented by AMSOL SM5.

  • 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.


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