Structure Validation of Natural Products
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Giampaolo Barone; Luigi Gomez-Paloma; Dario Duca; Arturo Silvestri; Raffaele Ric
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Article
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2002
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John Wiley and Sons
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English
โ 178 KB
Geometry optimization and GIAO (gauge including atomic orbitals) (13)C NMR chemical shift calculations at Hartree-Fock level, using the 6-31G(d) basis set, are proposed as a tool to be applied in the structural characterization of new organic compounds, thus providing useful support in the interpret