Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures

[Image: see text] The rapid and reliable detection of lethal agents such as sarin is of increasing importance. Here, density-functional theory (DFT) is used to compare the interaction of sarin with single-metal-centered phthalocyanine (MPc) and MPc layer structures to a benign model system, i.e., th...

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Autores principales: Aldahhak, Hazem, Powroźnik, Paulina, Pander, Piotr, Jakubik, Wiesław, Dias, Fernando B., Schmidt, Wolf Gero, Gerstmann, Uwe, Krzywiecki, Maciej
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7497713/
https://www.ncbi.nlm.nih.gov/pubmed/32952768
http://dx.doi.org/10.1021/acs.jpcc.9b11116

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