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...

Descripción completa

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

Ejemplares similares

Ejemplares similares