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

Selma ŠpirtovićHalilović | Zendy; Mirsada Salihović | Zendy; Snežana Trifunović | Zendy; Sunčica Roca | Zendy; Elma Veljović | Zendy; Amar Osmanović | Zendy; Marijana Vinković | Zendy; Davorka Završnik | Zendy

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

Author(s) -

Selma ŠpirtovićHalilović,

Mirsada Salihović,

Snežana Trifunović,

Sunčica Roca,

Elma Veljović,

Amar Osmanović,

Marijana Vinković,

Davorka Završnik

Publication year - 2014

Publication title -

journal of the serbian chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.227

H-Index - 45

eISSN - 1820-7421

pISSN - 0352-5139

DOI - 10.2298/jsc140221023s

Subject(s) - coumarin , carbon 13 nmr , density functional theory , computational chemistry , isotropy , yield (engineering) , chemical shift , chemistry , proton nmr , quantum chemical , materials science , molecule , organic chemistry , physics , quantum mechanics , metallurgy

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

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