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Hydrogen electron density distribution analysi

Qualitatively speaking, itha denotes the number of electrons that is shared by the hydrogen atom H and the acceptor atom A. It is calculated in a population analysis [244—246], where electrons are distributed to different atoms according to the contribution of (modified) atomic orbitals (i.e. of a minimum set of basis functions) to the molecular orbitals. The shared-electron number is thus a single-valued descriptor for the electronic density between the atoms H and A. [Pg.453]


See other pages where Hydrogen electron density distribution analysi is mentioned: [Pg.96]    [Pg.35]    [Pg.394]    [Pg.23]    [Pg.216]    [Pg.31]    [Pg.65]    [Pg.258]    [Pg.54]    [Pg.96]    [Pg.180]    [Pg.344]    [Pg.532]    [Pg.54]    [Pg.376]    [Pg.146]    [Pg.149]    [Pg.150]    [Pg.156]    [Pg.318]    [Pg.288]    [Pg.219]    [Pg.21]    [Pg.38]    [Pg.49]    [Pg.237]    [Pg.92]    [Pg.13]    [Pg.45]    [Pg.676]    [Pg.253]    [Pg.376]    [Pg.118]    [Pg.103]    [Pg.352]    [Pg.248]    [Pg.262]    [Pg.545]    [Pg.1394]    [Pg.445]    [Pg.98]    [Pg.89]    [Pg.291]    [Pg.92]    [Pg.132]    [Pg.426]    [Pg.89]    [Pg.594]    [Pg.295]    [Pg.222]   
See also in sourсe #XX -- [ Pg.513 ]




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