Ab Initio Calculations and NMR Study of 15N Chemical Shielding Tensors of N7- and N9- Substituted Purine Derivatives

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Authors	TOUŠEK Jaromír MAREK Radek BRUS Jiří
Year of publication	2002
Type	Article in Proceedings
Conference	International Chemometric Conference CHEMOMETRIC VI
MU Faculty or unit	Faculty of Science
Citation
Field	Physical chemistry and theoretical chemistry
Keywords	15N NMR chemical shifts tensors; Ab initio calculations
Description	15N MNR parametres of selected adenine and guanine derivatives were investigated using gradient inverse techniques. 15N CP/MAS spectra were recorded and quantum chemical calculations of chemical shielding tensors were carried out.
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