Autor:	Danièle Gonbeau, Geneviève Pfister-Guillouzo, Claude Guimon
Rok vydání:	1973
Předmět:	Inorganic Chemistry CNDO/2 Atomic orbital Computational chemistry Chemistry Organic Chemistry Parametrization Spectroscopy Analytical Chemistry
Zdroj:	Journal of Molecular Structure. 16:271-282
ISSN:	0022-2860
DOI:	10.1016/0022-2860(73)80066-3
Popis:	CNDO/2 calculations were performed for some sulphur compounds. The participation of the sulphur 3 d orbitals is discussed, taking into account some changes in the parametrization. These calculations give a correct qualitative description of the different C-S, S-O and S-N bonds.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8806f4c24a6c7cea6e7cc4f17f9dd897 https://doi.org/10.1016/0022-2860(73)80066-3 Zobrazit plný text záznamu