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

Špirtović-Halilović, Selma; Salihović, Mirsada; Trifunović, Snežana; Roca, Sunčica; Veljović, Elma; Osmanović, Amar; Vinković, Marijana; Završnik, Davorka (2014) Density functional theory: 1H and 13C-NMR spectra of some coumarin derivatives. Journal of the Serbian Chemical Society, 79 (11). pp. 1405-1411. ISSN 0352-5139

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Abstract

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.

Item Type:	Article
Uncontrolled Keywords:	NMR spectra; Spartan 10 software; quantum chemistry; chemical shifts
Subjects:	NATURAL SCIENCES > Chemistry
Divisions:	NMR Center
Projects:	Project title Project leader Project code Project type Spektroskopija NMR i modeliranje bioaktivnih molekula- Dejan Plavšić 098-0982929-2917 MZOS
Depositing User:	Marijana Vinković
Date Deposited:	14 Jul 2016 12:06
URI:	http://fulir.irb.hr/id/eprint/2964
DOI:	10.2298/JSC140221023S

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