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

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. This is a good basis for the...

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Bibliographic Details
Main Authors: Špirtović-Halilović Selma, Salihović Mirsada, Trifunović Snežana, Roca Sunčica, Veljović Elma, Osmanović Amar, Vinković Marijana, Završnik Davorka
Format: Article
Language:English
Published: Serbian Chemical Society 2014-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
NMR spectra
Spartan 10 software
quantum chemistry
chemical shifts
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2014/0352-51391400023S.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/0352-5139/2014/0352-51391400023S.pdf

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