Density functional theory: 1H and 13C-NMR spectra of some coumarin derivatives

Autor:	Špirtović-Halilović Selma, Salihović Mirsada, Trifunović Snežana, Roca Sunčica, Veljović Elma, Osmanović Amar, Vinković Marijana, Završnik Davorka
Jazyk:	angličtina
Rok vydání:	2014
Předmět:	NMR spectra Spartan 10 software quantum chemistry chemical shifts Chemistry QD1-999
Zdroj:	Journal of the Serbian Chemical Society, Vol 79, Iss 11, Pp 1405-1411 (2014)
Druh dokumentu:	article
ISSN:	0352-5139 1820-7421
DOI:	10.2298/JSC140221023S
Popis:	For some synthesized coumarin derivatives, 1H and 13C NMR isotropic chemical shifts and some other molecular properties were calculated using density functional theory. The calculations yield reliable results, that are in good correlation with experimental data. This is a good basis for the collaboration between experimentalists and quantum chemists.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/e7774b8f6241435b8f65f921d7c9f0a5 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF