From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set...

Magnetic Resonance in Chemistry 2011 Vol. 49; Iss. 5

From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations

Teobald Kupka, Michał Stachów, Marzena Nieradka, Jakub Kaminsky, Tadeusz Pluta, Stephan P. A. Sauer
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Volume:
49
Year:
2011
Language:
english
Pages:
6
DOI:
10.1002/mrc.2738
File:
PDF, 128 KB
english, 2011
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