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Valence-state energy

Seen from the point of view of quantum chemistry, this model divides the interelectronic repulsion effects into two categories the intra-atomic effects which are approximated by an analytic function corresponding to a smoothly varying valence state energy as function of ionicity, and interatomic effects which are represented by the Madelung potential valid for spherically symmetric, non-overlapping ions. [Pg.30]

Valence state energy, eV Valence state Energy, eV ... [Pg.13]

Forty-nine classes describing the H, C, N, O, and S atoms in different molecules interacting with water have been developed. These classes can be transferred to other molecules, provided that each atom in the solute and its nearest neighbors have previously been studied (Bolis and dementi, 1977). Net charge and molecular orbital valency state energy are used to assign atoms with the same atomic number to different classes (Carozzo et al., 1978 Corongiu et al., 1979). [Pg.111]

Monochromatic uv photons ( 20 eV) UV photoelectron (UPS) Photoejection of electrons from valence states Energy distribution, angular distribution of photoelectrons Valence energy levels... [Pg.309]

Now the Valence state energy of M, W depends on what the particular hybrid orbitals, and are. If they are simply s, p (i.e. no hybridization) the valence-state excitation will require a certain energy if they are both sp hybrids, another energy and if they are non-equivalent hybrids, yet a different energy value. In order to calculate the valence state energy of the M atom in —R it is essential to know, therefore, what particular hybrid orbitals, and are used. [Pg.157]

The valence-state energy of the bivalent oxygen atom. Proc. Natl. Acad. Sci. 35 (1949) 229-232. [Pg.689]


See other pages where Valence-state energy is mentioned: [Pg.615]    [Pg.265]    [Pg.146]    [Pg.702]    [Pg.644]    [Pg.139]    [Pg.142]    [Pg.106]    [Pg.644]    [Pg.556]    [Pg.632]    [Pg.20]    [Pg.59]    [Pg.60]    [Pg.60]    [Pg.76]    [Pg.292]    [Pg.607]    [Pg.296]    [Pg.296]    [Pg.643]    [Pg.191]    [Pg.84]    [Pg.565]    [Pg.9]    [Pg.158]    [Pg.163]    [Pg.163]    [Pg.164]    [Pg.188]    [Pg.611]    [Pg.588]    [Pg.191]    [Pg.560]    [Pg.300]    [Pg.159]   
See also in sourсe #XX -- [ Pg.114 , Pg.115 , Pg.157 , Pg.158 , Pg.161 , Pg.163 ]




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Energy Band Valence Density of States

Energy bond valence-state

Fermi levels valence electron energy state

Valence Bond Calculations of Diabatic States and Resonance Energies

Valence excited state energy

Valence state

Valence state ionization energy

Valence state promotion energies

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