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

dc.creatorGómez Jeria, Juan
dc.creatorReyes, Luis M.
dc.date.accessioned2012-10-10T14:31:42Z
dc.date.available2012-10-10T14:31:42Z
dc.date.created2012-10-10T14:31:42Z
dc.date.issued1986
dc.identifierActa Sud Americana de Química, Vol. 6, 1986
dc.identifier0716 - 0402
dc.identifierhttps://repositorio.uchile.cl/handle/2250/119571
dc.description.abstractThe 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.
dc.languageen
dc.publisherEditorial Codelia, Publicaciones Científicas
dc.titleTHEORETICAL STUDY OF CS CONTAINING - MOLECULES. 11. AB INITIO HART~E FOCK CALCULATIONS FOR THE CS + HCS -+ (CS)2H+ REACTION
dc.typeArtículo de revista


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