Words similar to chcl

Example sentences for: chcl

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Five conclusions are immediately evident from Tables 2, 3, 4. 1) For a given medium (gas, CHCl 3 , H 2 O), there is no consistency in energy ranking within the molecular mechanics methods.
This limited success is negated, however, by the incorrect prediction that the same polar species are also the low energy forms in the gas phase and in the CHCl 3 solvation model.
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.
2) None of the force-field/ solvation models posit non-polar 1 to be favored in CHCl 3 , while only MM3* predicts polar 5 and 6 to be most stable in the water continuum model (Table 2).
[ 2 ] Each was used in the "gas phase" with two continuum solvation models (CHCl 3 , H 2 O) [ 2b ] with default MacroModel atomic charges (Table 2).