THEORETICAL STUDY OF CS CONTAINING - MOLECULES. 11. AB INITIO HART~E FOCK CALCULATIONS FOR THE CS + HCS -+ (CS)2H+ REACTION

Author	dc.contributor.author	Gómez Jeria, Juan
Author	dc.contributor.author	Reyes, Luis M.	es_CL
Admission date	dc.date.accessioned	2012-10-10T14:31:42Z
Available date	dc.date.available	2012-10-10T14:31:42Z
Publication date	dc.date.issued	1986
Cita de ítem	dc.identifier.citation	Acta Sud Americana de Química, Vol. 6, 1986	es_CL
Identifier	dc.identifier.issn	0716 - 0402
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/119571
Abstract	dc.description.abstract	The r;action CS (1 ~+) + HCS+ (1 ~+) -+ (CS)2H+ is analyzed through ab initio calculations at the 4-31G basis set level. The reaction is predicted to be exothermic by 19 Kcal mor1. The equilibrium geometry of the hydrogen-bonded complex (CS)2H+ has been established to be of Ca.V syrnmetry. The results suggest that (SC)2H+ could be an active species in sulphur interstellar chemistry.	es_CL
Lenguage	dc.language.iso	en	es_CL
Publisher	dc.publisher	Editorial Codelia, Publicaciones Científicas	es_CL
Título	dc.title	THEORETICAL STUDY OF CS CONTAINING - MOLECULES. 11. AB INITIO HART~E FOCK CALCULATIONS FOR THE CS + HCS -+ (CS)2H+ REACTION	es_CL
Document type	dc.type	Artículo de revista