Target factor analysis of bond dissociation energies

Autor:	Darryl G. Howery, Matthew Rubenstein
Rok vydání:	1987
Předmět:	chemistry.chemical_classification Range (particle radiation) Hydrogen Radical Organic Chemistry chemistry.chemical_element General Chemistry Bond-dissociation energy Catalysis Matrix (mathematics) Hydrocarbon chemistry Computational chemistry Fluorine Organic chemistry
Zdroj:	Canadian Journal of Chemistry. 65:1380-1383
ISSN:	1480-3291 0008-4042
Popis:	Six data matrices of bond dissociation energies ranging from a 6 × 6 matrix involving only hydrocarbon radicals to a 14 × 14 matrix involving several types of radicals are target factor analyzed. The number of factors to reproduce the data near experimental error range from two to four for the six matrices. The hydrogen and fluorine radicals are shown to be the most unique radicals. Combination sets of vectors from the data matrices reproduce the data within experimental error, with the hydrogen, fluorine, and hydroxyl radicals being the most important ones. Using target testing, a few of the properties of the radicals are identified as basic factors.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1f9121882edb710a018c3de4b9f1af82 https://doi.org/10.1139/v87-233 Zobrazit plný text záznamu