๐”– Bobbio Scriptorium
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Program for calculating the electronic structure of a catalystadsorbed molecule system in the model of a two-dimensional macromolecule by the extended Huckel method

โœ Scribed by A. M. Gyul'maliev


Publisher
SP MAIK Nauka/Interperiodica
Year
1979
Tongue
English
Weight
204 KB
Volume
20
Category
Article
ISSN
0022-4766

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๐Ÿ“œ SIMILAR VOLUMES


A model for self-consistent cluster calc
โœ B. Cartling; B. Roos; U. Wahlgren ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 451 KB

It is shown that essential Features of the band structure of a. covalent crystal, as silicon, emerge in the level scheme of a cluster calculation utilizing the SCF Xa scattered wave method. 'The model cluster was terminated by a layer of saturating atoms to take care or the dangling bonds and the po