ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The generalization of the well-known Hückel rule of quantum chemistry is combined with the crossing theorem of the method of moments to interpret the calculated properties of two adatoms on the (001) surfaces of the simple cubic metal and the B.C.C. transition metal. The relation between the fourth-order energy moment and the repulsive interaction between adatoms is emphasized. Some conclusions are drawn on the mechanism of the W (001) surface reconstruction.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560380228
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