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Geometrical isomers calculating energy difference between

One of the classic applications of molecular mechanics modeling to a system of isomers is the application to the three geometric isomers of [Co(dien)2]3+. In this lesson we will examine the elfect of varying the force field on the calculated energy differences between these isomers and on how well they correlate with the experimentally determined differences (see Table 8.1, Section 8.1). [Pg.253]


See other pages where Geometrical isomers calculating energy difference between is mentioned: [Pg.7]    [Pg.10]    [Pg.199]    [Pg.9]    [Pg.16]    [Pg.122]    [Pg.346]    [Pg.464]    [Pg.32]    [Pg.105]    [Pg.74]    [Pg.483]    [Pg.387]    [Pg.115]    [Pg.450]    [Pg.248]    [Pg.26]    [Pg.147]    [Pg.362]    [Pg.284]   
See also in sourсe #XX -- [ Pg.265 ]




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Differences between

Energy between

Energy differences

Geometric isomers

Geometrical isomers

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