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Complete basis set prediction of methanol isotropic nuclear magnetic shieldings and indirect nuclear spin–spin coupling constants (SSCC) using polarization-consistent and XZP basis sets and B3LYP and BHandH density functionals
Teobald KupkaVolume:
47
Year:
2009
Language:
english
Pages:
10
DOI:
10.1002/mrc.2448
File:
PDF, 243 KB
english, 2009