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Functional groups density domain definition

Within the quantum chemical description of molecular electron density clouds, a natural criterion, the Density Domain criterion, provides a quantum chemical definition for functional groups [14-18]. Furthermore, techniques that generate fuzzy electron density contributions for local molecular moieties that are analogous to the fuzzy electron density clouds of complete molecules, determined by the analytic Additive Fuzzy Density Fragmentation (AFDF) method [19-21], or the earlier numerical-grid MEDLA method [22,23], are also... [Pg.168]


See other pages where Functional groups density domain definition is mentioned: [Pg.178]    [Pg.164]    [Pg.186]    [Pg.188]    [Pg.21]    [Pg.85]    [Pg.230]    [Pg.178]    [Pg.352]    [Pg.150]    [Pg.2585]    [Pg.124]   
See also in sourсe #XX -- [ Pg.178 , Pg.179 , Pg.186 , Pg.187 ]




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