Calculated electronic structure results and ideas for the metal-metal bonded systems Pt2, Pd2, Cu2, Ag2, Au2, AgAu, Ni2C2H4 and Nin (n = 1-6) are discussed. In this work ab initio effective core potentials have been used to replace the chemically inactive atomic core electrons, including the dominant relativistic effects for the heavier metals.
|Number of pages||10|
|Journal||Faraday Symposia of the Chemical Society|
|State||Published - 1980|
Bibliographical noteFunding Information:
Such an approach has been used recently by Walch and G0ddard.~'9~' This research was supported by grants from the United States-Israel Binational Science Foundation (B.S.F.),Jerusalem and the Israel Commission for Basic Research Jerusalem. Parts of this work were carried out in collaboration with Drs. Sid Topiol Marshall Newton and Jules W. Moskowitz. G.C. Bond in Electronic Structure and Reactivity of Metal Surfaces ed. E. G. Derouane and A. A. Lucas (Plenum Press N.Y. 1976). F. Trautweiler Photogr. Sci. Eng. 1968 12 138. F. A. Cotton Accounts Chem.