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Correlation diagrams configuration

Seetion treats the spatial, angular momentum, and spin symmetries of the many-eleetron wavefunetions that are formed as anti symmetrized produets of atomie or moleeular orbitals. Proper eoupling of angular momenta (orbital and spin) is eovered here, and atomie and moleeular term symbols are treated. The need to inelude Configuration Interaetion to aehieve qualitatively eorreet deseriptions of eertain speeies eleetronie struetures is treated here. The role of the resultant Configuration Correlation Diagrams in the Woodward-Hoffmann theory of ehemieal reaetivity is also developed. [Pg.3]

A. Plots of CSF Energies Give Configuration Correlation Diagrams... [Pg.290]

Configuration correlation diagram for homonuclear case in which homolytic bond cleavage is energetically favored. [Pg.303]

Configuration correlation diagram for the reaction C2H2 + C —> C3H2. [Pg.545]

Figure 10 Free-ion term—strong-field configuration correlation diagrams for octahedral and tetrahedral stereochemistries (a) tfi and Figure 10 Free-ion term—strong-field configuration correlation diagrams for octahedral and tetrahedral stereochemistries (a) tfi and <F, (b) d- and tf, (c) and tfi and (d) cfi...
Figure 4.7. Disrotatory ring opening of cyclobutene to butadiene a) orbital correlation diagram, b) configuration correlation diagram (dotted lines) and effect of configuration interaction, which converts the diagram into a state correlation diagram (solid lines). The triplet state is indicated by a broken line. Figure 4.7. Disrotatory ring opening of cyclobutene to butadiene a) orbital correlation diagram, b) configuration correlation diagram (dotted lines) and effect of configuration interaction, which converts the diagram into a state correlation diagram (solid lines). The triplet state is indicated by a broken line.
Figure 4.13. Configuration correlation diagram (dotted lines) and the resulting state correlation diagram (solid and broken lines, respectively) for the disrotatory ring opening of cyclobutene, based on natural orbital correlations (by perihission from Bigot, 1980). Figure 4.13. Configuration correlation diagram (dotted lines) and the resulting state correlation diagram (solid and broken lines, respectively) for the disrotatory ring opening of cyclobutene, based on natural orbital correlations (by perihission from Bigot, 1980).
In Section 4.2.2 it has been shown that due to intended or natural orbital correlations, crossings may occur in the configuration correlation diagram that are avoided in the state correlation diagram. If no avoided crossing is... [Pg.350]

Configuration correlation diagram, 193. See also Correlation diagram Configuration interaction, 13. 16-20. 24. [Pg.274]

Figure 14-23 A state or configuration correlation diagram for the electrocyclic closure of cis-1,3-butadiene. Figure 14-23 A state or configuration correlation diagram for the electrocyclic closure of cis-1,3-butadiene.
See other pages where Correlation diagrams configuration is mentioned: [Pg.290]    [Pg.45]    [Pg.48]    [Pg.52]    [Pg.222]    [Pg.238]    [Pg.354]    [Pg.357]    [Pg.382]    [Pg.526]    [Pg.193]    [Pg.194]    [Pg.196]    [Pg.200]    [Pg.205]    [Pg.344]    [Pg.396]    [Pg.110]    [Pg.111]    [Pg.113]    [Pg.185]    [Pg.211]    [Pg.389]    [Pg.395]    [Pg.223]    [Pg.12]    [Pg.13]    [Pg.15]    [Pg.52]    [Pg.515]   
See also in sourсe #XX -- [ Pg.519 ]



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Configuration diagram

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