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Longuet-Higgins phase-change rule

In this section, the systematic search for conical intersections based on the Longuet-Higgins phase-change rule is described. For conciseness sake, we limit the present discussion to Hiickel-type systems only, unless specifically noted otherwise. The first step in the antilysis is the determination of the LH loops containing a conical intersection for the reaction of interest. [Pg.347]

Cyclopentadienyl radical (CPDR), Longuet-Higgins phase-change rule, loop construction, 464-467... [Pg.73]

Localized molecular orbital/generalized valence bond (LMO/GVB) method, direct molecular dynamics, ab initio multiple spawning (AIMS), 413-414 Longuet-Higgins phase-change rule conical intersections ... [Pg.85]

See other pages where Longuet-Higgins phase-change rule is mentioned: [Pg.328]    [Pg.86]    [Pg.92]    [Pg.103]    [Pg.434]    [Pg.434]   


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