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Mono-excited

The symmetry of the quinolizinium ion is such that only four monosubstitution products are possible for any given substituent. On the basis of a computation using the Pariser-Parr-Pople method, including all singlet mono-excited electronic configurations, Galasso (68MI21000) concluded The carbon atoms at 3 and 7 are expected to be most reactive towards electrophilic substitution. ... [Pg.529]

Energy to second order (a) yii is a mono-excited configuration (i) Mono-excitation in a bond... [Pg.197]

The Slater rules predict that the one-electron term survives only for mono-excited configurations whereas the two-electron term survives also for biex-cited configurations. However, the perturbation formula for Ag b involves the product of the first-type (one electron only) and the second-type integrals so that the biexcited configurations cannot contribute. This allows to consider the whole second term as if it were constructed of an effective one-electron operator... [Pg.308]

To make progress, let us assume that the q- h configuration is a mono-excited configuration with respect to the //-th configuration, i.e. [Pg.160]

See other pages where Mono-excited is mentioned: [Pg.14]    [Pg.69]    [Pg.167]    [Pg.43]    [Pg.133]    [Pg.186]    [Pg.315]    [Pg.357]    [Pg.197]    [Pg.198]    [Pg.198]    [Pg.135]    [Pg.227]    [Pg.130]    [Pg.159]    [Pg.1119]    [Pg.12]    [Pg.216]    [Pg.154]    [Pg.154]    [Pg.160]    [Pg.161]    [Pg.161]    [Pg.313]   
See also in sourсe #XX -- [ Pg.216 ]



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Configuration mono-excited

Excited states metallo-mono

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