학술논문
Theoretical study of the interaction between PbS and triethanolamine as its complexing agent.
Document Type
Article
Source
Subject
*LEAD sulfide
*ETHANOLAMINES
*METAL complexes
*CONFORMATIONAL analysis
*MATHEMATICAL optimization
*OPTICAL isomers
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Language
ISSN
1741-5993
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. [ABSTRACT FROM AUTHOR]