Words similar to chcl

Example sentences for: chcl

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[ 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).
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.
6 , the CHCl 3 model also favors either 6 or extended 7 rather than 1 or 2 .
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).
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.