SELECTION OF THE OPTIMAL ATOMIC BASIS SET FOR CALCULATION OF ELECTRONIC ABSORPTION SPECTRA WITHIN THE DENSITY FUNCTIONAL THEORY B3LYP-TD-DFT ON THE EXAMPLE OF INDIGO DYE
| Autor: | T. N. Grishaeva, O. P. Kuznetsova, A. N. Masliy |
|---|---|
| Rok vydání: | 2022 |
| Zdroj: | Herald Of Technological University. 25:9-12 |
| ISSN: | 1998-7072 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|