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Semiempirical and ab initio methods - a comparison

It is important to point out, however, that in many cases the agreement is not as good as for the compounds shown in Table 2. [Pg.245]

The role of the solvent (solute-solvent interactions) has not been considered in these calculations. However, efforts to include the role of the solvent have been made in various other calculations. [Pg.245]


See other pages where Semiempirical and ab initio methods - a comparison is mentioned: [Pg.245]   


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AB-method

Ab initio method

Semiempirical

Semiempirical methods

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