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T h e d o t t e d lines s h o w t h e F e r m i levels. T h e shaded areas are t h e d-bands. 2 Fig. 37. a) Atomic charges for rows o f W atoms, b) N - N overlaps (1), N 2 - W overlap (2), W charges (3), energies (4) for a N 2 molecule perpendicular to a 5 W atoms line. 165 A for both a) and b). In our third example (52), dissociative chemisorption of Li 2, B2, C2, 02, N2, F2, CO, NO and ethylene on (100)W and Ni surfaces was examined. The metal surfaces are represented by means of nine-atom clusters, arranged as in Fig.
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47. Anders, L. : J. Chem. Phys. 59, 5277 (1973). 48. Anders, L. : J. Chem. Phys. 62, 1641 (1975). 49. : J. Chem. Phys. 45, 2254 (1966). 50. : J. Chem. Phys. 26, 1147 (1957). 51. : Surface Sci. 26, 109 (1971). 52. Anderson, A. : J. Chem. Phys. 61, 4545 (1974). 53. : Phys. Rev. Lett. 30, 1202 (1973). 43 Ligand Field Theory of Metal Sandwich Complexes Keith D. Warren Department of Chemistry, University College, Cardiff, Wales, United Kingdom. Table o f Contents 1. Introduction . . . . . . . .