Using the valence bond theory of solid, the electronic structure of FCC base ordered Al Li intermetallic compounds has been analysed systematically, the results showed that the hybrid order of Al atom in these compounds is unchanged.
Using the group theory, this paper derives the σ hybrid fashion and π hybrid fashion of the central atoms of ML_7 type and ML_(11) type complexes, thus proves the valence bond structure of ML_7 type and ML_(11) type complexes.
The part of V-O valence bond was broken due to the damaging effect of high dose argon and V_2O_5 structure was changed to VO_2 when the free oxygen combined with implanted hydrogen.
In order to explictly construct a homogeneous state with the valence bond structure in the two-dimensional Hubbard model for an arbitrary doping, we have used the variational method based on unitary local transformation.
Attraction between holes in the d-channel is due to modulation of hopping by the site population in course of the valence bond formation, and corresponding parameters have been calculated variationally.
The O—H…: C system is approximately considered as a four electron system. Using valence-bond method, the delocalization energy of this H bond system was calculated. The wave function of the four electron system was takon as a linear combination of the following three valence bond wave functions: (Ⅰ) (?)-H:C≡ψ_1 (Ⅱ) (?) (?):C≡ψ_2 (Ⅲ) (?) H——~+C≡ψ_3 ψ=c_1ψ_1+c_2ψ_2+c_3ψ_3 The H_(μμ) and H_(μν) integrals were calculated by the semi-empirical method proposed by Coulson and Danielss...
The electronic structure of mononuclear complexes of transition elements such as MCp2, MCp2Ln, where Cp represents cyclopentadiene anion, L represents ligands such as H, halogen anions, CO, CH2 = CH2, etc, was discused from the combined point of view of valence bond-molecular orbital method.
The carboxylated polypropylene composite cation exchange resin is obtained by heterogeneous graft copolymerization of a mixture of acrylic acid and methacrylic acid onto the particles of polypropylene. Each of the branched chains is linked together with the tertiary carbon atom of polypropylene through primary valence bond, but with no cros-slinking between them. They are therefore almost completely extended and rotate freely in ionic solution and thus confer good exchange and chelating adsorpti...