TY  - JOUR
AU  - Alcolea Palafox, Mauricio
AU  - Belskaya, Nataliya
AU  - Kostova, Irena
PY  - 2023
DO  - 10.3390/ijms241814001
SN  - 1422-0067
UR  - https://hdl.handle.net/20.500.14352/109132
T2  - International Journal of Molecular Sciences
AB  - 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...
LA  - eng
M2  - 1401
PB  - MDPI
KW  - 1,2,3-triazoles
KW  - Anticancer drugs design
KW  - Vibrational analysis
KW  - Scaling
KW  - Dimer calculation
TI  - 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
TY  - journal article
VL  - 24
ER  -