Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives
2014
Authors
Špirtović-Halilović, SelmaSalihovic, Mirsada
Trifunović, Snežana S.
Roca, Sunčica
Veljović, Elma
Osmanović, Amar
Vinkovic, Marijana
Završnik, Davorka
Article (Published version)
Metadata
Show full item recordAbstract
For some synthesized coumarin derivatives, H-1- and C-13-NMR isotropic chemical shifts and some other molecular properties were calculated using the density functional theory. The calculations yielded reliable results that were in good correlation with experimental data. This is a good basis for collaboration between experimentalists and quantum chemists.
Keywords:
NMR spectra / Spartan 10 software / quantum chemistry / chemical shiftsSource:
Journal of the Serbian Chemical Society, 2014, 79, 11, 1405-1411Publisher:
- Serbian Chemical Soc, Belgrade
DOI: 10.2298/JSC140221023S
ISSN: 0352-5139
WoS: 000346879000007
Scopus: 2-s2.0-84925440903
Collections
Institution/Community
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Špirtović-Halilović, Selma AU - Salihovic, Mirsada AU - Trifunović, Snežana S. AU - Roca, Sunčica AU - Veljović, Elma AU - Osmanović, Amar AU - Vinkovic, Marijana AU - Završnik, Davorka PY - 2014 UR - https://cherry.chem.bg.ac.rs/handle/123456789/1891 AB - For some synthesized coumarin derivatives, H-1- and C-13-NMR isotropic chemical shifts and some other molecular properties were calculated using the density functional theory. The calculations yielded reliable results that were in good correlation with experimental data. This is a good basis for collaboration between experimentalists and quantum chemists. PB - Serbian Chemical Soc, Belgrade T2 - Journal of the Serbian Chemical Society T1 - Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives VL - 79 IS - 11 SP - 1405 EP - 1411 DO - 10.2298/JSC140221023S ER -
@article{ author = "Špirtović-Halilović, Selma and Salihovic, Mirsada and Trifunović, Snežana S. and Roca, Sunčica and Veljović, Elma and Osmanović, Amar and Vinkovic, Marijana and Završnik, Davorka", year = "2014", abstract = "For some synthesized coumarin derivatives, H-1- and C-13-NMR isotropic chemical shifts and some other molecular properties were calculated using the density functional theory. The calculations yielded reliable results that were in good correlation with experimental data. This is a good basis for collaboration between experimentalists and quantum chemists.", publisher = "Serbian Chemical Soc, Belgrade", journal = "Journal of the Serbian Chemical Society", title = "Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives", volume = "79", number = "11", pages = "1405-1411", doi = "10.2298/JSC140221023S" }
Špirtović-Halilović, S., Salihovic, M., Trifunović, S. S., Roca, S., Veljović, E., Osmanović, A., Vinkovic, M.,& Završnik, D.. (2014). Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives. in Journal of the Serbian Chemical Society Serbian Chemical Soc, Belgrade., 79(11), 1405-1411. https://doi.org/10.2298/JSC140221023S
Špirtović-Halilović S, Salihovic M, Trifunović SS, Roca S, Veljović E, Osmanović A, Vinkovic M, Završnik D. Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives. in Journal of the Serbian Chemical Society. 2014;79(11):1405-1411. doi:10.2298/JSC140221023S .
Špirtović-Halilović, Selma, Salihovic, Mirsada, Trifunović, Snežana S., Roca, Sunčica, Veljović, Elma, Osmanović, Amar, Vinkovic, Marijana, Završnik, Davorka, "Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives" in Journal of the Serbian Chemical Society, 79, no. 11 (2014):1405-1411, https://doi.org/10.2298/JSC140221023S . .