Some consequences for solids of the non-local topology of valence orbital interactions

Autor:	G.C. Abell
Rok vydání:	1983
Předmět:	Valence (chemistry) Stability index Chemistry Structural stability Topological index General Physics and Astronomy Molecule Graphite Physical and Theoretical Chemistry Metallic hydrogen Non local Topology
Zdroj:	Chemical Physics Letters. 101:452-458
ISSN:	0009-2614
DOI:	10.1016/0009-2614(83)87512-5
Popis:	A semi-empirical method for detemining structural stability in molecules and in certain solids is presented. The method is related to the resonance energy concept of HMO theory. A general topological stability index is defined and shown to be well correlated with molecular properties. The stability of graphite, reconstruction of the Si(111) surface, and the problem of metallic hydrogen are discussed in connection with this topological index.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::213c26db4717459f11b9f0defd44b542 https://doi.org/10.1016/0009-2614(83)87512-5 Zobrazit plný text záznamu