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Simulation of 2D 1H homo- and 1H-13C heteronuclear NMR spectra of organic molecules by DFT calculations of spin-spin coupling constants and 1H and 13C-chemical shifts

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Keywords: 13C NMR; 1H NMR; DFT calculations; GIAO; J-couplings; natural products; structure elucidation

Document Type: Research Article

DOI: http://dx.doi.org/10.1016/j.tet.2003.10.001

Affiliations: Dipartimento di Scienze Farmaceutiche, Universita di Salerno, Via Ponte don Melillo I-84084 (Salerno), Fisciano, Italy

Publication date: November 24, 2003

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