Theoretical study of the interaction between PbS and triethanolamine as its complexing agent

Aned De Leon; M. C. Acosta-Enríquez; S. J. Castillo; A. Apolinar-Iribe

doi:10.1080/17415993.2012.689481

Theoretical study of the interaction between PbS and triethanolamine as its complexing agent

Aned De Leon^*, M. C. Acosta-Enríquez, S. J. Castillo, A. Apolinar-Iribe

^*Autor correspondiente de este trabajo

Producción científica: Contribución a una revista › Artículo › revisión exhaustiva

4 Citas (Scopus)

Resumen

We performed a theoretical analysis of the systems formed by Pb/PbS with one or two molecule(s) of triethanolamine as a complexing agent. Conformational analysis, geometry optimizations and frequency calculations at the MP2/LANL2DZ level of theory were performed to check the isomer stabilities.

Idioma original	Inglés
Páginas (desde-hasta)	391-396
Número de páginas	6
Publicación	Journal of Sulfur Chemistry
Volumen	33
N.º	4
DOI	https://doi.org/10.1080/17415993.2012.689481
Estado	Publicada - 1 ago. 2012

Acceder al documento

10.1080/17415993.2012.689481

Otros archivos y enlaces

Enlace a la publicación en Scopus

Citar esto

@article{ec5a9c93e3db4f79862ab7298cca6663,

title = "Theoretical study of the interaction between PbS and triethanolamine as its complexing agent",

abstract = "We performed a theoretical analysis of the systems formed by Pb/PbS with one or two molecule(s) of triethanolamine as a complexing agent. Conformational analysis, geometry optimizations and frequency calculations at the MP2/LANL2DZ level of theory were performed to check the isomer stabilities.",

keywords = "MP2, PbS, complexing agent",

author = "{De Leon}, Aned and Acosta-Enr{\'i}quez, {M. C.} and Castillo, {S. J.} and A. Apolinar-Iribe",

year = "2012",

month = aug,

day = "1",

doi = "10.1080/17415993.2012.689481",

language = "Ingl{\'e}s",

volume = "33",

pages = "391--396",

journal = "Journal of Sulfur Chemistry",

issn = "1741-5993",

publisher = "Taylor and Francis Ltd.",

number = "4",

}

TY - JOUR

T1 - Theoretical study of the interaction between PbS and triethanolamine as its complexing agent

AU - De Leon, Aned

AU - Acosta-Enríquez, M. C.

AU - Castillo, S. J.

AU - Apolinar-Iribe, A.

PY - 2012/8/1

Y1 - 2012/8/1

N2 - We performed a theoretical analysis of the systems formed by Pb/PbS with one or two molecule(s) of triethanolamine as a complexing agent. Conformational analysis, geometry optimizations and frequency calculations at the MP2/LANL2DZ level of theory were performed to check the isomer stabilities.

AB - We performed a theoretical analysis of the systems formed by Pb/PbS with one or two molecule(s) of triethanolamine as a complexing agent. Conformational analysis, geometry optimizations and frequency calculations at the MP2/LANL2DZ level of theory were performed to check the isomer stabilities.

KW - MP2

KW - PbS

KW - complexing agent

UR - http://www.scopus.com/inward/record.url?scp=84866130500&partnerID=8YFLogxK

U2 - 10.1080/17415993.2012.689481

DO - 10.1080/17415993.2012.689481

M3 - Artículo

SN - 1741-5993

VL - 33

SP - 391

EP - 396

JO - Journal of Sulfur Chemistry

JF - Journal of Sulfur Chemistry

IS - 4

ER -

Theoretical study of the interaction between PbS and triethanolamine as its complexing agent

Resumen

Acceder al documento

Otros archivos y enlaces

Huella

Citar esto