(left) and th...Figure 26 A schematic picture of the Mn2P22− layer band structure as ...Figure 27 Band structure and DOS of a single Mn2P22− layer.Figure 28 Total DOS of the composite Mn2P22− layer lattice (dashed li...Figure 29 Crystal orbital overlap population curves for the Mn–Mn bonds (sol...Figure 30 Total DOS of the P sublattice (left), the Mn sublattice (middle), ...Figure 31 Phosphorus 3pz orbital contribution (dark area) to the total DOS (...Figure 32 Phosphorus 3pz orbital contribution (dark area) to the total DOS (...Figure 33 Schematic drawing showing how the interactions of levels (bottom) ...Figure 34 The frontier orbitals of an Mo6S84− cluster, with some sele...Figure 35 The band structure of a staggered PtH42− stack (left), comp...Figure 36 A comparison of the DOS of staggered (left) and eclipsed (right) P...Figure 37 The band structure for VS in the NiAs structure (left), together w...Figure 38 The evolution of the contribution of methyl lone pairs to the DOS ...Figure 39 Some calculated characteristics of H2 on Mg(0001), after Ref. 87. ...