Words similar to solvation
Example sentences for: solvation
How can you use “solvation” in a sentence? Here are some example sentences to help you improve your vocabulary:
[ 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).
Faced with a large, poly-polar organic structure and a solvation-equipped semiempirical package, the user is limited by the proposition that the aqueous solvation model might provide the correct global minimum, but that other conformers may or may not be assigned an appropriate relative energy.
4) Use of 6-31G*-quality ESP charges as recommended for the continuum solvation models [ 2b 16 ] leads to conformer 2 , a non-polar type conformer distinct from 1, as the uniform global minimum for both gas phase and solution models (Table 3).
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.
Polar hydrogens were then added to the protein coordinates with the PROTONATE utility from AMBER [ 61 ] . AMBER united atom force field charges were assigned, and solvation parameters were added using the ADDSOL utility.
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