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Validation of Relativistic DFT Approaches to the Calculation of NMR Chemical Shifts in Square-Planar Pt2+ and Au3+ Complexes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Pawlak, T; Munzarova, ML; Pazderski, L; Marek, R, 2011: Validation of Relativistic DFT Approaches to the Calculation of NMR Chemical Shifts in Square-Planar Pt2+ and Au3+ Complexes. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 7(12), p. 3909 - 3923, doi: 10.1021/ct200366n

Research Groups:

• Structure of Biosystems and Molecular Materials

CEITEC authors:

• Prof. Radek Marek, Ph.D.