Peculiarities of the Spatial and Electronic Structure of 2-Aryl-1,2,3-Triazol-5-Carboxylic Acids and Their Salts on the Basis of Spectral Studies and DFT Calculations

The molecular structure and vibrational spectra of six 1,2,3-triazoles-containing molecules with possible anticancer activity were investigated. For two of them, the optimized geometry was determined in the monomer, cyclic dimer and stacking forms using the B3LYP, M06-2X and MP2 methods implemented...

Descripción completa

Detalles Bibliográficos
Autores principales: Alcolea Palafox, Mauricio, Belskaya, Nataliya P., Kostova, Irena P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10531006/
https://www.ncbi.nlm.nih.gov/pubmed/37762306
http://dx.doi.org/10.3390/ijms241814001

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10531006/
https://www.ncbi.nlm.nih.gov/pubmed/37762306
http://dx.doi.org/10.3390/ijms241814001

Ejemplares similares