Predicting the 1H and 13C NMR spectra of paramagnetic Ru(III) complexes by DFT

Magnetic Resonance in Chemistry

Volumn 48, Issue SUPPL. 1, 2010, Pages

  Rastrelli, Federico ^a   Bagno, Alessandro ^a  

^a UNIVERSITY OF PADOVA   (Italy)

Author keywords

anticancer agents; density functional calculations; NMR spectroscopy; ruthenium complexes; structure elucidation

Indexed keywords

FORECASTING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PARAMAGNETISM; RUTHENIUM COMPOUNDS;

ANTI-CANCER AGENTS; DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL-THEORY; FERMI CONTACT; NMR SPECTRUM; NMR-SPECTROSCOPY; NUCLEAR SHIELDING; PARAMAGNETIC SHIFTS; RUTHENIUM COMPLEXES; STRUCTURE ELUCIDATION;

DENSITY FUNCTIONAL THEORY;

EID: 78649648889     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2666     Document Type: Article

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