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:
In no instance do the semiempirical calculations predict either nonpolar forms 1 or 2 to be dominant in CHCl 3 . As mentioned above, the AM1//AM1 calculations posit equal populations for 2 and 6 within the latter regime, but they simultaneously relegate nonpolar 1 to a higher energy.
Force fields and semiempirical methods applied to Taxol
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.
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.
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