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- W2188805213 abstract "H, proton coupled and decoupled 13 C, DEPT, HETCOR NMR spectra, the magnitude of one bond 1 JCH coupling constants and 13 C NMR spin-lattice relaxation time (T 1) of 1,9-diaminononane (danon, C9H22 N2) have been reported for the first time. 1 H, 13 C NMR chemical shifts and 1 JCH coupling constants of danon have been calculated by means of B3LYP density functional method with 6-311++G(d,p) basis set. Comparison between the experimental and the theoretical results indicates that density functional B3LYP method is able to provide satisfactory results for predicting NMR properties." @default.
- W2188805213 created "2016-06-24" @default.
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- W2188805213 date "2009-01-01" @default.
- W2188805213 modified "2023-09-27" @default.
- W2188805213 title "NMR SPECTROSCOPIC STUDY AND DFT CALCULATIONS OF GIAO NMR SHIELDINGS AND 1 JCH SPIN-SPIN COUPLING CONSTANTS OF" @default.
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