Relativistic heavy-atom effects on heavy-atom nuclear shieldings
15th Nov 2006, 00:26 GMT
Perttu Lantto, Rodolfo H. Romero, Sergio S. Gomez, Gustavo A. Aucar, and Juha Vaara The principal relativistic heavy-atom effects on the nuclear magnetic resonance (NMR) shielding tensor of the heavy atom itself (HAHA effects) are calculated using ab initio methods at the level of the Breit-Pauli Hamiltonian. This is the first systematic study of the main HAHA effects on nuclear sh ... [J. Chem. Phys. 125, 184113 (2006)] published Tue Nov 14, 2006.
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