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Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives
dc.creator | Špirtović-Halilović, Selma | |
dc.creator | Salihovic, Mirsada | |
dc.creator | Trifunović, Snežana S. | |
dc.creator | Roca, Sunčica | |
dc.creator | Veljović, Elma | |
dc.creator | Osmanović, Amar | |
dc.creator | Vinkovic, Marijana | |
dc.creator | Završnik, Davorka | |
dc.date.accessioned | 2018-11-22T00:29:45Z | |
dc.date.available | 2018-11-22T00:29:45Z | |
dc.date.issued | 2014 | |
dc.identifier.issn | 0352-5139 | |
dc.identifier.uri | https://cherry.chem.bg.ac.rs/handle/123456789/1891 | |
dc.description.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. | en |
dc.publisher | Serbian Chemical Soc, Belgrade | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
dc.source | Journal of the Serbian Chemical Society | |
dc.subject | NMR spectra | en |
dc.subject | Spartan 10 software | en |
dc.subject | quantum chemistry | en |
dc.subject | chemical shifts | en |
dc.title | Density functional theory: H-1- and C-13-NMR spectra of some coumarin derivatives | en |
dc.type | article | |
dc.rights.license | BY-NC-ND | |
dcterms.abstract | Винковиц, Маријана; Роца, Сунцица; Трифуновић, Снежана; Салиховиц, Мирсада; Заврсник, Даворка; Османовиц, Aмар; Вељовиц, Елма; Спиртовиц-Халиловиц, Селма; | |
dc.citation.volume | 79 | |
dc.citation.issue | 11 | |
dc.citation.spage | 1405 | |
dc.citation.epage | 1411 | |
dc.identifier.wos | 000346879000007 | |
dc.identifier.doi | 10.2298/JSC140221023S | |
dc.citation.other | 79(11): 1405-1411 | |
dc.citation.rank | M23 | |
dc.type.version | publishedVersion | |
dc.identifier.scopus | 2-s2.0-84925440903 | |
dc.identifier.fulltext | https://cherry.chem.bg.ac.rs/bitstream/id/8940/1889.pdf |