Ab-initio Study of Citrate Ion as an Oxygen-Rich Complexing Agent.

Ab-initio Study of Citrate Ion as an Oxygen-Rich Complexing Agent.

Theoretical studies on conformational analysis, geometry optimizations and frequencies for citrate at the MP2/LANL2DZ level portrait it as a promising candidate for a complexing agent for cadmium (II) ion (Cd2+) and cadmium sulfide (CdS). Natural Bond Orbital (NBO) charges, Delocalization Indices, H...

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Bibliographic Details
Main Authors: Armando G Rojas-Hernandez, Aned De Leon, Rafael A Sabory-Garcia, Rafael Ramirez-Bon, Dainet Berman-Mendoza, Santos J Castillo
Format: Article
Language:English
Published: Slovenian Chemical Society 2020-03-01
Series:Acta Chimica Slovenica
Subjects:
homo/lumo surfaces
complexing agent
cds
citrate ion
Online Access:https://journals.matheo.si/index.php/ACSi/article/view/5534

Internet

https://journals.matheo.si/index.php/ACSi/article/view/5534

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