Experimental FTIR-MI and Theoretical Studies of Isocyanic Acid Aggregates

Homoaggregates of isocyanic acid (HNCO) were studied using FTIR spectroscopy combined with a low-temperature matrix isolation technique and quantum chemical calculations. Computationally, the structures of the HNCO dimers and trimers were optimized at the MP2, B3LYPD3 and B2PLYPD3 levels of theory e...

Descripción completa

Detalles Bibliográficos
Autores principales: Krupa, Justyna, Wierzejewska, Maria, Lundell, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9921473/
https://www.ncbi.nlm.nih.gov/pubmed/36771094
http://dx.doi.org/10.3390/molecules28031430

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9921473/
https://www.ncbi.nlm.nih.gov/pubmed/36771094
http://dx.doi.org/10.3390/molecules28031430

Ejemplares similares