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Výpočty efektivní anizotropie chemického stínění pro L-Alanyl-L-Alanin, závislost na konformaci a náboji
Benda, Ladislav
DFT quantum-chemical calculation were carried out for cationic, zwitteronic and anionic form of the L-Alanyl-L-Alanine di-peptide. The 15N NMR chemical shielding tensor of the amide nitrogen was used for theoretical modeling of the cross-correlated relaxations.

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