Descubre y comparte nuestro conocimiento público

Se han encontrado 2 recursos

Resultados de búsqueda

Article 2018

Autor: Lashgari, A. Ghamami, S. Govindarajan, M. Salgado-Morán, G. Romero, P.M. Candia, L.G.

A theoretical quantum study of the organophosphorus compound with formula C10H19OPCl2 (MEPCL2) was carried out. The results of the calculations show excellent agreement between experimental and computed frequencies evaluated at the B3LYP/6-311++G(d,p) level of theory. A study of the electronic pr...

Enlace original: http://repositorio.unab.cl/xmlui/handle/ria/8914

Repositorio Universidad Andrés Bello
DFT
HF
Enlace permanente

Lashgari, A. ,  Ghamami, S. ,  Govindarajan, M. ,  Salgado-Morán, G. ,  Romero, P.M. ,  Candia, L.G. ,  [A theoretical quantum study of the electronic properties of mentoxy dichloro phosphorous (C10H19OPCl2)] ,  A theoretical quantum study of the electronic properties of mentoxy dichloro phosphorous (C10H19OPCl2)
Article 2016-03

Autor: Lashgari, A. Ghamami, S. Salgado-Moran, G. Ramirez-Tagle, R. Gerli-Candia, L.

Two new phosphorus complexes, potassium trichlorothiocyanophosphate (III) (PTCTCP; K[PCl3(SCN)]) and potassium trichlorocyanophosphate (III) (PTCCP; K[PCl3(CN)]) were synthesized from the reaction of KSCN and KCN, respectively, with PCl3. The chemical formulas and compositions of these compounds ...

Enlace original: http://repositorio.unab.cl/xmlui/handle/ria/1066

Repositorio Universidad Andrés Bello
ADF
DFT
Enlace permanente

Lashgari, A. ,  Ghamami, S. ,  Salgado-Moran, G. ,  Ramirez-Tagle, R. ,  Gerli-Candia, L. ,  [New phosphorus compounds K[PCL3(X)] (X= SCN, CN): Preparation and DFT and spectroscopic studies] ,  New phosphorus compounds K[PCL3(X)] (X= SCN, CN): Preparation and DFT and spectroscopic studies

Selecciona los documentos para visualizarlos

Nombre del archivo Ver recurso
Marcar todos
Limpiar todo