Quelling the Geometry Factor Effect in Quantum Chemical Calculations of 13 C NMR Chemical Shifts with the Aid of the pecG- 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. Oct2024, Vol. 25 Issue 19, p10588. 16p.
Databáze: Academic Search Ultimate
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