Systematic discrepancy of theoretical predictions of NMR chemical shifts for chlorinated aromatic carbons using the GIAO DFT method

Author: Gryff-Keller Adam   Molchanov Sergey  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.102, Iss.18, 2004-09, pp. : 1903-1908

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Abstract