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Protonation and phase effects on the NMR chemical shifts of imidazoles and pyrazoles: experimental results and GIAO calculationsElectronic supplementary information (ESI) available: absolute and relative shieldings calculated at the B3LYP/6-311++G**//B3LYP/6-311++G** level for compounds V to XXI as well as pyrazole and 3,5-dimethylpyrazole dimers, trimers and tetramers (420 shieldings). See http://www.rsc.org/suppdata/nj/b2/b210251j/

✍ Scribed by Claramunt, Rosa M.; López, Concepción; García, María Ángeles; Denisov, Gleb S.; Alkorta, Ibon; Elguero, José

Book ID
120168651
Publisher
Royal Society of Chemistry
Year
2003
Tongue
English
Weight
280 KB
Volume
27
Category
Article
ISSN
1144-0546

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