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Stevens rearrangement relative energies

Figure 1 Comparison of MP2//MP2 (solid) and MP2//PM3 (dashed) relative energies for a series of molecules of increasing complexity involved in Stevens rearrangements... Figure 1 Comparison of MP2//MP2 (solid) and MP2//PM3 (dashed) relative energies for a series of molecules of increasing complexity involved in Stevens rearrangements...
To evaluate the effects of steric and electronic factors on the relative energies of species involved in the Stevens rearrangement, a comprehensive study of the geometries and relative energie.s of 12 Stevens rearrangement systems was... [Pg.2424]

Figure 7 Relative energies for the Stevens rearrangements of systems 1-12 at the MP2/6-31 G(d) (solid) and PM3 (dashed) levels of theory... Figure 7 Relative energies for the Stevens rearrangements of systems 1-12 at the MP2/6-31 G(d) (solid) and PM3 (dashed) levels of theory...
Figure 10 Relative gas-phase (solid) and SCRF (dashed) energies for Stevens rearrangements 2-5 calculated at MP2/6-3IG(d)... Figure 10 Relative gas-phase (solid) and SCRF (dashed) energies for Stevens rearrangements 2-5 calculated at MP2/6-3IG(d)...

See other pages where Stevens rearrangement relative energies is mentioned: [Pg.124]    [Pg.2421]    [Pg.2426]    [Pg.2426]    [Pg.2426]    [Pg.2426]    [Pg.2427]    [Pg.2429]    [Pg.2430]    [Pg.2430]   
See also in sourсe #XX -- [ Pg.4 , Pg.2425 ]




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