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 structures were also fully optimized with the AM1 and PM3 semiempirical methods [ 22 ] and supplemented by AMSOL SM5.
Similarly, within a quantum chemical semiempirical framework, charge polarization notwithstanding, conformational energies are sensitive to method and charge distribution.
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.
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 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.