Computations of ⁵⁷Fe‐NMR Chemical Shifts with the SOS‐DFPT Method

This publication has 54 references indexed in Scilit:

• Ab Initio ECP/DFT Calculation and Interpretation of Carbon and Oxygen NMR Chemical Shift Tensors in Transition‐Metal Carbonyl Complexes
  Chemistry – A European Journal, 1996
• Transition Metal NMR Spectroscopy. 25. 103Rh NMR Shielding Correlation with Rate Data for Aryl Migration in RhCp*I(CO)(p-XC6H4): Mechanistic Implications
  Organometallics, 1995
• The performance of density-functional/Hartree–Fock hybrid methods: Cationic transition-metal methyl complexes MCH+3 (M=Sc–Cu,La,Hf–Au)
  The Journal of Chemical Physics, 1995
• Scalar Relativistic Effects on 17O NMR Chemical Shifts in Transition-Metal Oxo Complexes. An ab Initio ECP/DFT Study
  Journal of the American Chemical Society, 1995
• Three methods to measure RH bond energies
  The Journal of Physical Chemistry, 1994
• Theoretical study of the monocarbonyls of first-row transition metal atoms
  The Journal of Chemical Physics, 1993
• Microwave measurements of the rotational spectrum and structure of butadieneiron tricarbonyl
  Journal of the American Chemical Society, 1993
• (Butadiene)tricarbonylosmium synthesis and structural comparison with the Fe‐ and Ru‐complexes based on ¹H‐ and ¹³C‐NMR. Spectroscopy
  Helvetica Chimica Acta, 1980
• Kinetics and mechanism of substitution of olefinic ligands by carbon monoxide in tetracarbonyl-π-olefiniron complexes
  J. Chem. Soc., Dalton Trans., 1972
• 13C and 17O n.m.r. spectra of metal carbonyl compounds
  Transactions of the Faraday Society, 1962