On the Efficiency of the Density Functional Theory (DFT)-Based Computational Protocol for 1 H and 13 C Nuclear Magnetic Resonance (NMR) Chemical Shifts of Natural Products: Studying the Accuracy of the pecS- n (n = 1, 2) Basis Sets.

Autor: Rusakov, Yuriy Yu.1 (AUTHOR) rusakov82@mail.ru, Semenov, Valentin A.1 (AUTHOR), Rusakova, Irina L.1 (AUTHOR) i-rusakova@bk.ru
Zdroj: International Journal of Molecular Sciences. Oct2023, Vol. 24 Issue 19, p14623. 17p.
Databáze: Academic Search Ultimate
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