Inequivalent Solvation Effects on the N 1s Levels of Self-Associated Melamine Molecules in Aqueous Solution

[Image: see text] This work shows how the N 1s photoemission (PE) spectrum of self-associated melamine molecules in aqueous solution has been successfully rationalized using an integrated computational approach encompassing classical metadynamics simulations and quantum calculations based on density...

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Detalles Bibliográficos
Autores principales: Ponzi, Aurora, Rosa, Marta, Kladnik, Gregor, Unger, Isaak, Ciavardini, Alessandra, Di Nardi, Lorys, Viola, Elisa, Nicolas, Christophe, Došlić, Nađa, Goldoni, Andrea, Lanzilotto, Valeria
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10084451/
https://www.ncbi.nlm.nih.gov/pubmed/36972466
http://dx.doi.org/10.1021/acs.jpcb.3c00327

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10084451/
https://www.ncbi.nlm.nih.gov/pubmed/36972466
http://dx.doi.org/10.1021/acs.jpcb.3c00327

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