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Individual gauge for localized orbitals IGLO

The individual gauge for localized orbitals (IGLO) and localized orbital... [Pg.252]

Stabilization of the systems due to homoconjugation is discussed. 13C and nB NMR chemical shifts of the compounds were also calculated using the individual gauge for localized orbitals (IGLO) method <2000JOC5956>. [Pg.574]

For the calculations of the shielding tensor using the Individual Gauge for Localized Orbitals (IGLO) method, the occupied MO s were localized by the method of Foster and Boys [81]. Unless noted otherwise, we use the experimental molecular geometries [82]. [Pg.286]

See other pages where Individual gauge for localized orbitals IGLO is mentioned: [Pg.252]    [Pg.215]    [Pg.224]    [Pg.220]    [Pg.345]    [Pg.110]    [Pg.516]    [Pg.162]    [Pg.221]    [Pg.200]    [Pg.378]    [Pg.168]    [Pg.236]    [Pg.1028]    [Pg.68]    [Pg.224]    [Pg.53]    [Pg.252]    [Pg.378]    [Pg.237]    [Pg.61]    [Pg.415]    [Pg.287]    [Pg.131]    [Pg.11]    [Pg.148]    [Pg.338]    [Pg.156]    [Pg.291]    [Pg.57]    [Pg.71]    [Pg.301]    [Pg.108]    [Pg.167]    [Pg.214]   
See also in sourсe #XX -- [ Pg.237 ]

See also in sourсe #XX -- [ Pg.338 ]



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Gauge local

IGLO

IGLO (individual gauge for localized

Individual Gauge for Localized Orbitals

Local orbitals

Localized orbitals

Orbital localization

Orbital localized

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