Density functional theory: 1H and 13C-NMR spectra of some coumarin derivatives (CROSBI ID 211349)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Špirtović-Halilović, Selma ; Salihović, Mirsada ; Trifunović, Snežana ; Roca, Sunčica ; Veljović, Elma ; Osmanović, Amar ; Vinković, Marijana ; Završnik, Davorka
engleski
Density functional theory: 1H and 13C-NMR spectra of some coumarin derivatives
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.
NMR spectra ; Spartan 10 software ; quantum chemistry ; chemical shifts
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Podaci o izdanju
79 (11)
2014.
1405-1411
objavljeno
0352-5139
10.2298/JSC140221023S