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Local Wiberg index

Del Re and coworkers [131] were concerned with the relation of s character in hybrids to bond angles and have considered hybridization as described by local orbitals, determined by requiring that hybrids on different atoms have minimal overlap unless they participate in the same bond. Alternate approaches are provided by the bond index of Wiberg [132] and by the Trindle-Sinanoglu procedure [133] for the application of the physical criterion of Lennard-Jones and Pople [134,135], requiring that an electron in a localized orbital interact maximally with the electron sharing that orbital. [Pg.73]

Wang Y-G, Wiberg KB, Werstiuk NH (2007) Correlation effects in EOM-CCSD for the excited states evaluated by AIM localization index (LI) and delocalization index (DI). J Phys Chem 111 3592-3601... [Pg.29]

See other pages where Local Wiberg index is mentioned: [Pg.177]    [Pg.308]    [Pg.308]    [Pg.291]    [Pg.292]    [Pg.56]    [Pg.51]    [Pg.90]   
See also in sourсe #XX -- [ Pg.140 ]



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