Arene Hapticity in (C₆H₆)Cr(CO)_n (n = 1−5) Complexes: A DFT Study of Singlet and Triplet Energy Surfaces

This publication has 56 references indexed in Scilit:

• Benchmark ab Initio Energy Profiles for the Gas-Phase S_N2 Reactions Y^- + CH₃X → CH₃Y + X^- (X,Y = F,Cl,Br). Validation of Hybrid DFT Methods
  The Journal of Physical Chemistry A, 2001
• On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets
  Computer Physics Communications, 2001
• d → d Spectrum and High-Spin/Low-Spin Competition in d⁶Octahedral Coordination Compounds: ab Initio Study of Potential Energy Curves
  The Journal of Physical Chemistry A, 1998
• Energetics of the Reactions of (η⁶-C₆H₆)Cr(CO)₃ with n-Heptane, N₂, and H₂ Studied by High-Pressure Photoacoustic Calorimetry
  The Journal of Physical Chemistry, 1996
• Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
  Chemical Reviews, 1988
• Kinetics and mechanism of arene displacement in (.eta.-arene)dicarbonyl(chalcocarbonyl)chromium(0) complexes, (.eta.-arene)Cr(CO)2(CX) (X = S, Se), by tertiary phosphites
  Inorganic Chemistry, 1986
• Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
  The Journal of Chemical Physics, 1985
• Photochemistry of (η-benzene)tricarbonylchromium, tricarbonyl-(η-cyclopentadienyl)manganese, and (η-cyclobutadiene)- and (tris-methylenemethane)-tricarbonyliron in frozen gas matrices at 12 K. Infrared spectroscopic evidence for dicarbonylmetal and dicarbonyl-(dinitrogen)metai complexes
  J. Chem. Soc., Dalton Trans., 1978
• Photochemistry of metal carbonyls
  Chemical Reviews, 1974
• Kinetics and Mechanism of Substitution Reactions of Arene Molybdenum Tricarbonyl
  Journal of the American Chemical Society, 1966